SCHEMBL1703585

SCHEMBL1703585

O=C(O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.67
OPRM1 P35372 1/20 0.62
OPRK1 P41145 1/20 0.62
MAPT P10636 3/20 0.54
DRD2 P14416 7/20 0.53
HTR1A P08908 6/20 0.53
HTR7 P34969 6/20 0.53
HTR6 P50406 6/20 0.53
LMNA P02545 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
SCHEMBL28097371 0.91 MAPT (0.54) SLC6A4OPRM1OPRK1MAPTLMNA
SCHEMBL16801734 0.89 SLC6A4 (0.69) SLC6A4OPRM1OPRK1MAPTDRD2
SCHEMBL3233304 0.86 SLC6A4 (0.67) SLC6A4MAPTDRD2HTR1AHTR7
SCHEMBL1232327 0.86 SLC6A4 (0.50) SLC6A4MAPT
SCHEMBL9462544 0.85 SLC6A4 (0.65) SLC6A4OPRM1OPRK1MAPTDRD2
SCHEMBL892861 0.84 GABRP (0.62) SLC6A4OPRM1OPRK1MAPTDRD2
SCHEMBL30567971 0.84 GABRP (0.62) SLC6A4OPRM1OPRK1MAPTDRD2
SCHEMBL6345407 0.83 SLC6A4 (0.69) SLC6A4HTR1AHTR6
SCHEMBL4178633 0.83 SLC6A4 (0.70) SLC6A4MAPTDRD2HTR1AHTR6
SCHEMBL28097296 0.83 LMNA (0.64) SLC6A4MAPTDRD2HTR1AHTR6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
CN-106045966-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-106045967-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 WO disclosed
CN-106045966-A Substituted heterocyclic compounds and application of same to medicines 广东东阳光药业有限公司 2016-10-26 CN disclosed
CN-106045967-A Substituted heterocyclic compounds and application of same to medicines 广东东阳光药业有限公司 2016-10-26 CN disclosed
EP-2440550-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-04-18 EP disclosed
WO-2010142801-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-12-16 WO disclosed
CN-101541765-A 3-piperidin-4-yl-indole ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-23 CN disclosed