SCHEMBL580289

SCHEMBL580289

Oc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.77
GAA P10253 1/20 0.74
MAPT P10636 1/20 0.74
SLC2A1 P11166 1/20 0.66
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
MPO P05164 2/20 0.61
DRD4 P21917 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
OPRK1 P41145 1/20 0.58

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
SCHEMBL3695539 1.00 BCHE (0.77) BCHEGAAMAPTSLC2A1KDM4E
Hydrochloric Acid SCHEMBL9332806 0.98 GAA (0.78) BCHEGAAMAPTSLC2A1KDM4E
SCHEMBL13960326 0.95 BCHE (0.70) BCHEGAAMAPTSLC2A1KDM4E
SCHEMBL24142592 0.91 BCHE (0.66) BCHEGAAMAPTSLC2A1KDM4E
SCHEMBL6540901 0.90 BCHE (0.65) BCHEGAAMAPTSLC2A1KDM4E
SCHEMBL18122725 0.90 OPRK1 (0.64) BCHEGAAMAPTSLC2A1MPO
SCHEMBL3272134 0.90 GAA (0.91) BCHEGAAMAPTKDM4EALDH1A1
SCHEMBL11881258 0.90 GAA (0.91) BCHEGAAMAPTKDM4EALDH1A1
SCHEMBL3866233 0.89 SIGMAR1 (0.70) BCHEMPO
SCHEMBL3692847 0.89 SIGMAR1 (0.70) BCHEMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240033-A1 AFFINITY MATRIX LIBRARY AND ITS USE LI RONGXIU 2009-09-24 US claimed
EP-2834288-B1 COLORED CHARGED SILSESQUIOXANES BASF SE (DE) 2017-04-26 EP disclosed
US-9228063-B2 Colored charged silsesquioxanes BASF SE (DE) 2016-01-05 US disclosed
US-9228063-B2 Colored charged silsesquioxanes BASF SE (DE) 2016-01-05 US disclosed
US-20140296518-A1 Colored Charged Silsesquioxanes BASF SE (DE) 2014-10-02 US disclosed
WO-2013150444-A1 COLORED CHARGED SILSESQUIOXANES BASF SE (DE) 2013-10-10 WO disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed
WO-1997010887-A1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK A/S (DK) 1997-03-27 WO disclosed
US-RE35128-E Method for the preparation of erythro vicinyl amino-alcohols DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-12-19 US disclosed
EP-0328251-B1 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation ICI PLC (GB) 1994-04-13 EP disclosed
US-5189219-A Reacting hydroxyl-protected cyanohydrin with grignard reagent, then with primary amine, reducing, deprotecting DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-02-23 US disclosed
EP-0492719-A1 Method for the preparation of erythro vicinal amino-alcohols DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-07-01 EP disclosed
US-4999377-A 2-(2-hydroxy-3-phenoxypropylamino)ethylphenoxyacetamide compounds; dietetics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
CN-1046160-A Thiophene derivant ICI PLC (GB) 1990-10-17 CN disclosed
EP-0386920-A2 2-Hydroxy-3-thienyloxypropylamino derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-12 EP disclosed
EP-0328251-A2 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-16 EP disclosed