SCHEMBL4850127

SCHEMBL4850127

C[C@](N)(C(=O)NC1CCN(Cc2ccc(Cl)cc2)C1)c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.49
DRD2 P14416 7/20 0.49
DRD4 P21917 7/20 0.49
HTR2A P28223 1/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL4850120 1.00 CCR2 (0.49) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL4841180 1.00 CCR2 (0.49) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL4841168 1.00 CCR2 (0.49) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL4848743 0.84 DRD2 (0.58) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL4848750 0.84 DRD2 (0.58) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL6859397 0.75 DRD2 (0.61) CCR2DRD2DRD4
SCHEMBL4433119 0.74 CCR2 (0.55) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL29725714 0.74 CCR2 (0.55) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL29725664 0.74 CCR2 (0.55) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL22716940 0.74 DRD2 (0.66) CCR2DRD2DRD4

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 6 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
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed