SCHEMBL4840338

SCHEMBL4840338

CNc1ccc(Br)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.61
DRD2 P14416 4/20 0.49
DRD4 P21917 4/20 0.49
DRD3 P35462 4/20 0.49
KCNH2 Q12809 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
MCHR1 Q99705 1/20 0.47
FAAH O00519 2/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL4848884 0.90 CCR2 (0.58) CCR2DRD2DRD4DRD3KCNH2
SCHEMBL4841277 0.87 CCR2 (0.76) CCR2DRD2DRD4DRD3KCNH2
SCHEMBL4849011 0.86 CCR2 (0.60) CCR2DRD2DRD4DRD3KCNH2
SCHEMBL4840515 0.84 CCR2 (0.57) CCR2DRD2DRD4DRD3KCNH2
SCHEMBL27579124 0.82 CCR2 (0.52) CCR2DRD2DRD4DRD3MCHR1
SCHEMBL6205964 0.79 CCR2 (0.81) CCR2KCNH2CACNA1IMCHR1FAAH
SCHEMBL27558644 0.79 CCR2 (0.62) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4848199 0.78 CCR2 (0.73) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL6206317 0.77 CCR2 (0.74) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4848758 0.76 CCR2 (1.00) CCR2KCNH2CACNA1IFAAHBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
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
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed