SCHEMBL6962409

SCHEMBL6962409

O=C1O[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
ADRA1D P25100 4/20 0.47
SIGMAR1 Q99720 2/20 0.46
CCR2 P41597 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL5527597 0.92 CYP2D6 (0.52) CYP2D6ADRA1DSLC6A4
SCHEMBL6961404 0.91 CYP2D6 (0.48) CYP2D6OPRM1OPRK1OPRL1ADRA1D
SCHEMBL6966376 0.88 CCR2 (0.47) CYP2D6ADRA1DCCR2SLC6A4
SCHEMBL6969178 0.88 SIGMAR1 (0.57) SIGMAR1SLC6A4
SCHEMBL6966928 0.88 SIGMAR1 (0.57) SIGMAR1SLC6A4
SCHEMBL6961015 0.85 SIGMAR1 (0.56) OPRM1OPRK1OPRL1SIGMAR1
SCHEMBL6955450 0.81 DRD2 (0.53) OPRM1OPRK1OPRL1ADRA1DSLC6A4
SCHEMBL6969325 0.81 DRD2 (0.55) OPRM1OPRK1OPRL1ADRA1DSIGMAR1
SCHEMBL6962326 0.79 SLC6A4 (0.47) OPRM1OPRK1OPRL1SLC6A4
SCHEMBL6967736 0.79 SLC6A4 (0.48) SIGMAR1SLC6A4

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 8 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 claimed
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 claimed
EP-0964863-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GmbH (DE) 1999-12-22 EP claimed
WO-1998038189-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-03 WO claimed
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
WO-1998038189-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-03 WO disclosed