SCHEMBL6897442

SCHEMBL6897442

OC1(c2ccc(Cl)c(Cl)c2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.52
OPRM1 P35372 18/20 0.52
OPRD1 P41143 18/20 0.52
OPRK1 P41145 18/20 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
SCHEMBL6895386 0.84 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6498050 0.83 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1
SCHEMBL14635953 0.81 OPRM1 (0.69) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6363940 0.77 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1
SCHEMBL15156334 0.77 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4173900 0.77 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1
SCHEMBL3032073 0.73 OPRL1 (0.77) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6775745 0.73 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6780954 0.73 OPRL1 (0.69) OPRL1OPRM1OPRD1OPRK1
SCHEMBL6899043 0.73 OPRL1 (0.67) OPRL1OPRM1OPRD1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831078-B1 3-aryl substituted having halo or alkylhalo groups; anxiety, epilepsy; presurgery muscle relaxant VERNALIS RESEARCH LIMITED (GB) 2004-12-14 US disclosed
EP-1049670-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RES LTD (GB) 2002-07-17 EP disclosed
EP-1196165-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2002-04-17 EP disclosed
WO-2001007022-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO disclosed
EP-1049670-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP disclosed
WO-1999037613-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO disclosed