SCHEMBL4846571

SCHEMBL4846571

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cc3ccccc3)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.83
KCNH2 Q12809 1/20 0.63
CACNA1I Q9P0X4 1/20 0.63
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60

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
SCHEMBL4848349 0.92 CCR2 (0.85) CCR2KCNH2CACNA1I
SCHEMBL27583780 0.91 CCR2 (0.81) CCR2KCNH2CACNA1I
SCHEMBL4842675 0.91 CCR2 (1.00) CCR2KCNH2CACNA1I
SCHEMBL4845491 0.91 CCR2 (0.79) CCR2KCNH2CACNA1I
SCHEMBL6205050 0.90 CCR2 (0.79) CCR2KCNH2CACNA1I
SCHEMBL4840112 0.90 CCR2 (0.85) CCR2KCNH2CACNA1I
SCHEMBL4845986 0.90 CCR2 (0.85) CCR2KCNH2CACNA1I
SCHEMBL6205241 0.89 CCR2 (0.83) CCR2KCNH2CACNA1I
SCHEMBL4845540 0.88 CCR2 (0.81) CCR2KCNH2CACNA1I
SCHEMBL6203959 0.88 CCR2 (0.77) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100418951-C Cycloamine derivative and its use as medicine TEIJIN KASEI LTD (JP) 2008-09-17 CN disclosed
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
CN-1240699-C Therapeutic or prophylactic agent for chemokine-associated diseases TEIJIN LTD (JP) 2006-02-08 CN disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
CN-1660815-A Cyclic amine derivatives and their use as drugs TEIJIN LTD (JP) 2005-08-31 CN 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
CN-1496981-A Cyclic amine derivatives and their use as pharmaceuticals ������������ʽ���� 2004-05-19 CN disclosed
CN-1384743-A Remedies or preventives for diseases in association with chemokines TEIJIN LTD (JP) 2002-12-11 CN 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
CN-1279668-A Cyclic amine derivatives and their use as pharmaceuticals TEIJIN LTD (JP) 2001-01-10 CN disclosed