SCHEMBL6584945

SCHEMBL6584945

CC(O)CNC(=O)N1CC(Oc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.41
EPHX2 P34913 8/20 0.38
CYP2C9 P11712 3/20 0.36
CYP2J2 P51589 3/20 0.36
CHRM3 P20309 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ACACB O00763 3/20 0.35
SCN9A Q15858 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL6584937 1.00 CHRNA7 (0.41) CHRNA7EPHX2CYP2C9CYP2J2CHRM3
SCHEMBL6586914 0.88 EPHX2 (0.44) CHRNA7EPHX2CYP2C9CYP2J2PRMT5
SCHEMBL6586909 0.88 EPHX2 (0.44) CHRNA7EPHX2CYP2C9CYP2J2PRMT5
SCHEMBL6586275 0.88 EPHX2 (0.47) CHRNA7EPHX2CYP2C9CYP2J2PRMT5
SCHEMBL6585234 0.88 EPHX2 (0.47) CHRNA7EPHX2CYP2C9CYP2J2PRMT5
SCHEMBL6585239 0.88 EPHX2 (0.47) CHRNA7EPHX2CYP2C9CYP2J2PRMT5
SCHEMBL6585993 0.84 CCR3 (0.45) CHRNA7EPHX2
SCHEMBL6585997 0.84 CCR3 (0.45) CHRNA7EPHX2
SCHEMBL6584370 0.80 CHRNA7 (0.45) CHRNA7EPHX2PRMT5WDR77ACACB
SCHEMBL6584366 0.80 CHRNA7 (0.45) CHRNA7EPHX2PRMT5WDR77ACACB

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
EP-1049671-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RES LTD (GB) 2004-04-21 EP claimed
US-6514961-B1 Such as anxiety and all forms of epilepsy, particularly in humans VERNALIS RESEARCH LIMITED (GB) 2003-02-04 US claimed
EP-1196166-A1 AZETIDINE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2002-04-17 EP claimed
WO-2001007043-A1 AZETIDINE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO claimed
EP-1049671-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP claimed
WO-1999037614-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO claimed