SCHEMBL4848758

SCHEMBL4848758

O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 1.00
ACHE P22303 2/20 0.64
FAAH O00519 1/20 0.64
BCHE P06276 1/20 0.64
HDAC3 O15379 4/20 0.64
HDAC4 P56524 4/20 0.64
HDAC1 Q13547 4/20 0.64
HDAC7 Q8WUI4 4/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC10 Q969S8 4/20 0.64
HDAC11 Q96DB2 4/20 0.64
HDAC8 Q9BY41 4/20 0.64
HDAC6 Q9UBN7 4/20 0.64
HDAC9 Q9UKV0 4/20 0.64
HDAC5 Q9UQL6 4/20 0.64
KCNH2 Q12809 1/20 0.57
CACNA1I Q9P0X4 1/20 0.57

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
SCHEMBL4848703 0.88 CCR2 (0.79) CCR2BCHE
SCHEMBL4842675 0.85 CCR2 (1.00) CCR2KCNH2CACNA1I
SCHEMBL4841184 0.83 CCR2 (0.84) CCR2KCNH2CACNA1I
SCHEMBL8180116 0.83 CCR2 (0.71) CCR2ACHEBCHEHDAC3HDAC4
SCHEMBL4848199 0.82 CCR2 (0.73) CCR2ACHEFAAHBCHEHDAC3
SCHEMBL5368040 0.81 CCR2 (0.69) CCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4849833 0.81 CCR2 (1.00) CCR2
SCHEMBL6205964 0.81 CCR2 (0.81) CCR2ACHEFAAHBCHEKCNH2
SCHEMBL3593316 0.81 CCR2 (0.67) CCR2ACHEFAAHBCHEHDAC3
SCHEMBL4848447 0.80 CCR2 (0.66) CCR2ACHEFAAHBCHEHDAC3

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