SCHEMBL6969178

SCHEMBL6969178

COc1ccc(N2CC(CN3CCC(c4c[nH]c5ccccc45)CC3)OC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.57
HTR1A P08908 3/20 0.50
SLC6A4 P31645 3/20 0.50
DRD2 P14416 3/20 0.49
HTR7 P34969 3/20 0.49
HTR6 P50406 3/20 0.49
HTR2A P28223 2/20 0.49

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
SCHEMBL6966928 1.00 SIGMAR1 (0.57) SIGMAR1HTR1ASLC6A4DRD2HTR7
SCHEMBL5527597 0.90 CYP2D6 (0.52) SLC6A4
SCHEMBL6962409 0.88 CYP2D6 (0.48) SIGMAR1SLC6A4
SCHEMBL6961404 0.88 CYP2D6 (0.48) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL6966799 0.88 SIGMAR1 (0.56) SIGMAR1HTR1ASLC6A4DRD2HTR7
SCHEMBL6966376 0.86 CCR2 (0.47) SLC6A4
SCHEMBL6964648 0.85 SIGMAR1 (0.69) SIGMAR1
SCHEMBL9677377 0.82 SIGMAR1 (0.71) SIGMAR1
SCHEMBL6966093 0.82 SIGMAR1 (0.70) SIGMAR1
SCHEMBL6964820 0.79 HTR1A (0.61) SIGMAR1HTR1ADRD2HTR2A

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 4 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
WO-1998038189-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-03 WO disclosed