SCHEMBL6586306

SCHEMBL6586306

CCCNC(=O)N1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.49
CHRNA7 P36544 1/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2J2 P51589 3/20 0.43

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
SCHEMBL9596316 0.84 KCNH2 (0.47) EPHX2CHRNA7
SCHEMBL9596961 0.83 EPHX2 (0.48) EPHX2CHRNA7NAMPTCYP2C9CYP2J2
SCHEMBL6585234 0.82 EPHX2 (0.47) EPHX2CHRNA7CYP2C9CYP2J2
SCHEMBL6585239 0.82 EPHX2 (0.47) EPHX2CHRNA7CYP2C9CYP2J2
SCHEMBL6585960 0.82 EPHX2 (0.47) EPHX2CHRNA7NAMPTCYP2C9CYP2J2
SCHEMBL6586275 0.82 EPHX2 (0.47) EPHX2CHRNA7CYP2C9CYP2J2
SCHEMBL9450755 0.82 EPHX2 (0.45) EPHX2NPC1RAB9A
SCHEMBL9596858 0.81 EPHX2 (0.48) EPHX2CHRNA7NPC1POLBRAB9A
SCHEMBL9597295 0.77 PRKAB2 (0.46) EPHX2CHRNA7NAMPT
SCHEMBL13873131 0.76 EPHX2 (0.67) EPHX2CYP2C9CYP2J2

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 3 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 disclosed
EP-1049671-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP disclosed
WO-1999037614-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO disclosed