SCHEMBL4848199

SCHEMBL4848199

Cc1ccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1Br

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.73
KCNH2 Q12809 2/20 0.57
CACNA1I Q9P0X4 2/20 0.57
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
FAAH O00519 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL4842973 0.84 CCR2 (0.76) CCR2
SCHEMBL4842963 0.84 CCR2 (0.76) CCR2
SCHEMBL4848758 0.82 CCR2 (1.00) CCR2KCNH2CACNA1IHDAC3HDAC4
SCHEMBL4841184 0.79 CCR2 (0.84) CCR2KCNH2CACNA1I
SCHEMBL4842675 0.79 CCR2 (1.00) CCR2KCNH2CACNA1I
SCHEMBL4840338 0.78 CCR2 (0.61) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4841277 0.77 CCR2 (0.76) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4849011 0.77 CCR2 (0.60) CCR2KCNH2CACNA1IHDAC3HDAC4
SCHEMBL6205964 0.77 CCR2 (0.81) CCR2KCNH2CACNA1IFAAHBCHE
SCHEMBL4848884 0.75 CCR2 (0.58) 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 10 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
EP-1030840-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 2000-08-30 EP disclosed
WO-1999025686-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 1999-05-27 WO disclosed