SCHEMBL6967690

SCHEMBL6967690

c1[nH]c2cc3c(cc2c1C1CCNCC1)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
ADRB2 P07550 1/20 0.53
APP P05067 5/20 0.52
HTR6 P50406 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR1E P28566 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
HTR4 Q13639 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
GABRP O00591 2/20 0.41

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
SCHEMBL12129551 0.80 APP (0.70) HTR2CADRB2APPNMT2NMT1
SCHEMBL17365461 0.72 APP (0.70) HTR2CADRB2APPHTR1ANMT2
SCHEMBL22491588 0.72 APP (0.54) HTR2CADRB2APPHTR6HTR2A
SCHEMBL22491479 0.71 APP (0.48) HTR2CADRB2APPHTR6HTR2A
SCHEMBL7216288 0.71 OPRL1 (0.48) HTR2CHTR6HTR1AHTR2A
SCHEMBL7482397 0.71 HTR1D (0.68) HTR2CADRB2APPHTR6HTR1D
SCHEMBL21089078 0.71 HTR2C (0.62) HTR2CADRB2APPHTR6HTR1D
SCHEMBL2781509 0.71 HTR2C (0.62) HTR2CADRB2APPHTR6HTR1B
SCHEMBL7459828 0.71 HTR2C (0.62) HTR2CADRB2APPHTR6HTR1D
SCHEMBL3549500 0.71 CYP1A2 (0.68) HTR2CADRB2APPHTR6HTR1D

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-0964863-B1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 2003-05-21 EP disclosed
US-6462056-B1 SUCH AS 3-(4-CHLOROPHENYL)-5-(4-(3-INDOLYL)-1-PIPERIDINYL-METHYL)OXAZOLIDIN-2-ONE; 5-HT2A ANTAGONISTS WITH 5-HT REUPTAKE INHIBITING, ANTIDEPRESSANT OR ANXIOLYTIC EFFECT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-10-08 US disclosed
EP-0964863-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
CN-1047385-C 3-indolylpiperidine MERCK PATENT GMBH (DE) 1999-12-15 CN disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
WO-1998038189-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-03 WO disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
CN-1114651-A 3-indolylpiperidine MERCK PATENT GMBH (DE) 1996-01-10 CN disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed