SCHEMBL6203959

SCHEMBL6203959

NC(=O)c1cccc(CN2CCC(CNC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.77
KCNH2 Q12809 1/20 0.63
CACNA1I Q9P0X4 1/20 0.63

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
SCHEMBL6205241 0.93 CCR2 (0.83) CCR2KCNH2CACNA1I
SCHEMBL6205050 0.92 CCR2 (0.79) CCR2KCNH2CACNA1I
SCHEMBL4840112 0.88 CCR2 (0.85) CCR2KCNH2CACNA1I
SCHEMBL4846571 0.88 CCR2 (0.83) CCR2KCNH2CACNA1I
SCHEMBL4842675 0.87 CCR2 (1.00) CCR2KCNH2CACNA1I
SCHEMBL4848254 0.87 CCR2 (0.74) CCR2KCNH2CACNA1I
SCHEMBL4848349 0.86 CCR2 (0.85) CCR2KCNH2CACNA1I
SCHEMBL4845986 0.86 CCR2 (0.85) CCR2KCNH2CACNA1I
SCHEMBL4845540 0.84 CCR2 (0.81) CCR2KCNH2CACNA1I
SCHEMBL27583780 0.84 CCR2 (0.81) CCR2KCNH2CACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed