SCHEMBL6775745

SCHEMBL6775745

CC(C)(C)c1ccc(C2(O)CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.52
OPRK1 P41145 15/20 0.52
OPRM1 P35372 14/20 0.52
OPRD1 P41143 14/20 0.52
MAOA P21397 1/20 0.48
LMNA P02545 1/20 0.45
NR1I2 O75469 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CNR1 P21554 1/20 0.45
HRH1 P35367 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
GHSR Q92847 1/20 0.45

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
SCHEMBL6780954 0.85 OPRL1 (0.69) OPRL1OPRK1OPRM1OPRD1
SCHEMBL14635953 0.84 OPRM1 (0.69) OPRL1OPRK1OPRM1OPRD1
SCHEMBL6774471 0.82 OPRK1 (0.48) OPRL1OPRK1OPRM1OPRD1MAOA
SCHEMBL6363940 0.80 OPRL1 (0.73) OPRL1OPRK1OPRM1OPRD1
SCHEMBL15156334 0.80 OPRL1 (0.73) OPRL1OPRK1OPRM1OPRD1
SCHEMBL6498050 0.80 OPRL1 (0.73) OPRL1OPRK1OPRM1OPRD1KCNH2
SCHEMBL3032073 0.79 OPRL1 (0.77) OPRL1OPRK1OPRM1OPRD1
SCHEMBL15155645 0.78 OPRD1 (0.57) OPRL1OPRK1OPRM1OPRD1
SCHEMBL2196605 0.76 OPRL1 (0.44) OPRL1OPRK1OPRM1OPRD1
SCHEMBL27979542 0.75 OPRD1 (0.51) OPRL1OPRK1OPRM1OPRD1LMNA

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