SCHEMBL7110643

SCHEMBL7110643

CCC1(C(N)=O)CC2C=CC1C2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
P2RX7 Q99572 1/20 0.31

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
SCHEMBL350877 0.84 CYP2D6 (0.46) CYP2D6CYP2C19
SCHEMBL19159410 0.83 CYP2D6 (0.43) CYP2D6CYP2C19P2RX7
SCHEMBL202929 0.83 CYP2D6 (0.43) CYP2D6CYP2C19P2RX7
SCHEMBL5449089 0.80 CYP2D6 (0.40) CYP2D6CYP2C19
SCHEMBL32688968 0.79 CYP2D6 (0.42) CYP2D6CYP2C19
SCHEMBL7106278 0.79 CYP2D6 (0.42) CYP2D6CYP2C19P2RX7
SCHEMBL5457062 0.76 CYP2D6 (0.40) CYP2D6CYP2C19
SCHEMBL11533608 0.75 CYP2D6 (0.39) CYP2D6CYP2C19
SCHEMBL5452049 0.75 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL11265228 0.75 CYP2D6 (0.41) CYP2D6CYP2C19

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-1113027-B1 Olefin copolymer having functional group, production process thereof and rubber composition JSR CORP (JP) 2003-10-15 EP disclosed
US-6534586-B2 Mechanical properties; having nonhalogenated flame retardant JSR CORPORATION (JP) 2003-03-18 US disclosed
US-6403742-B2 RUBBER JSR CORPORATION (JP) 2002-06-11 US disclosed
US-20020058746-A1 Flame-retardant rubber composition and flame-retardant elastomer JSR CORPORATION (JP) 2002-05-16 US disclosed
EP-1191061-A1 Flame-retardant rubber composition and flame-retardant elastomer JSR Corporation (JP) 2002-03-27 EP disclosed
EP-1113027-A1 Olefin copolymer having functional group, production process thereof and rubber composition JSR Corporation (JP) 2001-07-04 EP disclosed