SCHEMBL4840729

SCHEMBL4840729

C[C@H](N)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.56
KCNH2 Q12809 2/20 0.56
CACNA1I Q9P0X4 2/20 0.56
FAAH O00519 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
TP53 P04637 2/20 0.53
NPFFR2 Q9Y5X5 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CXCR4 P61073 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4840720 1.00 CCR2 (0.56) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4847317 0.91 CCR2 (0.54) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4847319 0.91 CCR2 (0.54) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4850685 0.89 CCR2 (0.53) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4850691 0.89 CCR2 (0.53) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4844669 0.87 NPFFR2 (0.56) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4844658 0.87 NPFFR2 (0.56) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4848526 0.85 NPFFR2 (0.52) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4848529 0.85 NPFFR2 (0.52) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL27558611 0.83 CCR2 (0.62) 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