SCHEMBL6964820

SCHEMBL6964820

COc1ccc(N2CC(CN3CC=C(c4c[nH]c5ccccc45)CC3)OC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.61
DRD2 P14416 5/20 0.61
SIGMAR1 Q99720 5/20 0.59
HTR2A P28223 2/20 0.54
DRD1 P21728 1/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL9678810 0.84 SIGMAR1 (0.74) SIGMAR1
SCHEMBL6969178 0.79 SIGMAR1 (0.57) HTR1ADRD2SIGMAR1HTR2A
SCHEMBL6966928 0.79 SIGMAR1 (0.57) HTR1ADRD2SIGMAR1HTR2A
SCHEMBL5845471 0.77 HTR1A (0.63) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL6966093 0.77 SIGMAR1 (0.70) SIGMAR1
SCHEMBL9844439 0.75 SIGMAR1 (0.62) SIGMAR1KDM4EALOX15
SCHEMBL6953909 0.75 SIGMAR1 (0.69) SIGMAR1
SCHEMBL7214414 0.74 HTR1A (0.62) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL9678912 0.74 SIGMAR1 (0.59) HTR1ADRD2SIGMAR1DRD3
SCHEMBL7121689 0.73 HTR1A (0.61) HTR1ADRD2HTR2AKDM4ELMNA

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