SCHEMBL6957823

SCHEMBL6957823

N#Cc1ccc(N2C[C@H](CN3CCC(c4c[nH]c5cc(F)ccc45)CC3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
SLC6A4 P31645 2/20 0.49
ADRA1D P25100 3/20 0.48
HTR2A P28223 6/20 0.47
HTR1A P08908 3/20 0.47
DRD1 P21728 2/20 0.47
HTR2C P28335 2/20 0.47
DRD3 P35462 2/20 0.47
HTR6 P50406 2/20 0.47
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
ADRA1B P35368 1/20 0.43
GRM2 Q14416 1/20 0.42
HTR7 P34969 3/20 0.42
KCNH2 Q12809 3/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
SIGMAR1 Q99720 4/20 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
SCHEMBL6956398 1.00 DRD2 (0.49) DRD2SLC6A4ADRA1DHTR2AHTR1A
SCHEMBL6968341 0.93 OPRM1 (0.52) DRD2SLC6A4HTR2AHTR1ADRD3
SCHEMBL6965715 0.93 OPRM1 (0.52) DRD2SLC6A4HTR2AHTR1ADRD3
SCHEMBL6956151 0.93 OPRM1 (0.52) DRD2SLC6A4HTR2AHTR1ADRD3
SCHEMBL6969325 0.92 DRD2 (0.55) DRD2SLC6A4ADRA1DHTR2AHTR1A
SCHEMBL6957106 0.90 DRD2 (0.48) DRD2SLC6A4HTR1ADRD3OPRM1
SCHEMBL6968059 0.90 DRD2 (0.48) DRD2SLC6A4HTR1ADRD3OPRM1
SCHEMBL6956812 0.90 DRD2 (0.48) DRD2SLC6A4HTR1ADRD3OPRM1
SCHEMBL6955450 0.89 DRD2 (0.53) DRD2SLC6A4ADRA1DHTR2AHTR1A
SCHEMBL6966803 0.88 SLC6A4 (0.48) SLC6A4HTR1AGRM2KCNH2SIGMAR1

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