SCHEMBL6205046

SCHEMBL6205046

NC(C(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C1CCN(Cc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.57
ACKR3 P25106 2/20 0.51
DRD4 P21917 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL4848338 0.93 CCR2 (0.59) CCR2
SCHEMBL6203958 0.93 CCR2 (0.55) CCR2ACKR3KCNH2CACNA1ICHRM3
SCHEMBL4846565 0.90 CCR2 (0.61) CCR2
SCHEMBL4840102 0.89 CCR2 (0.60) CCR2
SCHEMBL4842670 0.89 CCR2 (0.69) CCR2KCNH2CACNA1I
SCHEMBL4848249 0.88 CCR2 (0.58) CCR2ACKR3DRD4KCNH2CACNA1I
SCHEMBL4845980 0.88 CCR2 (0.59) CCR2
SCHEMBL6205237 0.88 CCR2 (0.59) CCR2
SCHEMBL4845489 0.87 CCR2 (0.58) CCR2ACKR3
SCHEMBL27569079 0.87 CCR2 (0.57) CCR2ACKR3

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