SCHEMBL6964648

SCHEMBL6964648

COc1ccc(N2C[C@H](CN3CCC(c4c[nH]c5cc6c(cc45)OCO6)CC3)OC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.69

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
SCHEMBL6961015 0.89 SIGMAR1 (0.56) SIGMAR1
SCHEMBL6966799 0.86 SIGMAR1 (0.56) SIGMAR1
SCHEMBL6969178 0.85 SIGMAR1 (0.57) SIGMAR1
SCHEMBL6966928 0.85 SIGMAR1 (0.57) SIGMAR1
SCHEMBL7300307 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8799329 0.80 SIGMAR1 (0.77) SIGMAR1
SCHEMBL8799851 0.80 SIGMAR1 (0.77) SIGMAR1
SCHEMBL6969325 0.77 DRD2 (0.55) SIGMAR1
SCHEMBL6967736 0.75 SLC6A4 (0.48) SIGMAR1
SCHEMBL6966803 0.75 SLC6A4 (0.48) SIGMAR1

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