SCHEMBL6956151

SCHEMBL6956151

N#Cc1ccc(N2C[C@@H](CN3CCC(c4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
SLC6A4 P31645 7/20 0.47
HTR1A P08908 6/20 0.47
DRD2 P14416 5/20 0.46
HTR7 P34969 4/20 0.46
HTR6 P50406 4/20 0.46
HTR2A P28223 3/20 0.46
GRM2 Q14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HSD11B1 P28845 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL6965715 1.00 OPRM1 (0.52) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL6968341 1.00 OPRM1 (0.52) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL6957106 0.95 DRD2 (0.48) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL6968059 0.95 DRD2 (0.48) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL6956812 0.95 DRD2 (0.48) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL6956398 0.93 DRD2 (0.49) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL6957823 0.93 DRD2 (0.49) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL6967736 0.93 SLC6A4 (0.48) SLC6A4HTR1AGRM2GABRPGABRD
SCHEMBL6966803 0.93 SLC6A4 (0.48) SLC6A4HTR1AGRM2GABRPGABRD
SCHEMBL6964919 0.93 SLC6A4 (0.48) SLC6A4HTR1AGRM2GABRPGABRD

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