SCHEMBL735118

SCHEMBL735118

COc1ccccc1CN(C)C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.68
SLC6A2 P23975 8/20 0.68
SLC6A3 Q01959 7/20 0.68
CHRM2 P08172 3/20 0.62
HTR2A P28223 3/20 0.58
AOC3 Q16853 1/20 0.56
IDO1 P14902 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
KCNH2 Q12809 1/20 0.53
MEN1 O00255 1/20 0.53
CRHBP P24387 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53
CHRM1 P11229 1/20 0.52
HTR7 P34969 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6048549 0.84 HTR7 (0.63) SLC6A4SLC6A2SLC6A3CHRM2HTR2A
Hydrochloric Acid SCHEMBL6048539 0.83 HTR7 (0.61) SLC6A4SLC6A2SLC6A3CHRM2HTR2A
SCHEMBL15471244 0.82 CHRM2 (0.57) SLC6A4SLC6A2SLC6A3CHRM2AOC3
SCHEMBL5675723 0.82 MEN1 (0.54) SLC6A4SLC6A2SLC6A3MEN1CRHBP
SCHEMBL9172783 0.82 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CHRM2HTR2A
SCHEMBL4514454 0.82 CHRM2 (0.67) SLC6A4SLC6A2SLC6A3CHRM2AOC3
SCHEMBL12088736 0.80 CHRM2 (0.56) SLC6A4SLC6A2SLC6A3CHRM2AOC3
SCHEMBL17377214 0.80 CHRM2 (0.56) SLC6A4SLC6A2SLC6A3CHRM2AOC3
SCHEMBL4514452 0.80 CHRM2 (0.56) SLC6A4SLC6A2SLC6A3CHRM2AOC3
SCHEMBL19694733 0.80 IDO1 (0.57) SLC6A4SLC6A2SLC6A3CHRM2HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US claimed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US claimed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US claimed
CN-117531520-A Catalyst and preparation method and application thereof 厦门大学 2024-02-09 CN disclosed
WO-2024027109-A1 CATALYST, PREPARATION METHOD THEREFOR AND USE THEREOF XIAMEN UNIVERSITY (CN) 2024-02-08 WO disclosed
WO-2023115167-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2021214315-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-10-28 WO disclosed
EP-3901154-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-10-27 EP disclosed
EP-2598517-B1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US disclosed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US disclosed
US-20030158368-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-21 US disclosed
US-20030153714-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-14 US disclosed
US-6552154-B1 Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate DEGUSSA AG (DE) 2003-04-22 US disclosed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US disclosed
EP-1229016-A2 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour Degussa AG (DE) 2002-08-07 EP disclosed
EP-1085030-A2 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring Degussa-Hüls Aktiengesellschaft (DE) 2001-03-21 EP disclosed