SCHEMBL4841154

SCHEMBL4841154

C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1)c1ccsc1N

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
HTR2A P28223 1/20 0.49
KMT2A Q03164 1/20 0.47
TEAD1 P28347 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4850115 1.00 CCR2 (0.50) CCR2DRD2DRD4HTR2AKMT2A
SCHEMBL4840672 0.84 CCR2 (0.57) CCR2DRD2DRD4KMT2ATEAD1
SCHEMBL4840662 0.84 CCR2 (0.57) CCR2DRD2DRD4KMT2ATEAD1
SCHEMBL4842849 0.84 CCR2 (0.57) CCR2DRD2DRD4KMT2ATEAD1
SCHEMBL4850596 0.76 CCR2 (0.52) CCR2DRD2DRD4KMT2ATEAD1
SCHEMBL4850609 0.76 CCR2 (0.52) CCR2DRD2DRD4KMT2ATEAD1
SCHEMBL6859397 0.75 DRD2 (0.61) CCR2DRD2DRD4TEAD1SIGMAR1
SCHEMBL4850122 0.75 DRD4 (0.55) CCR2DRD2DRD4HTR2ASIGMAR1
SCHEMBL4841172 0.75 DRD4 (0.55) CCR2DRD2DRD4HTR2ASIGMAR1
SCHEMBL4848743 0.75 DRD2 (0.58) CCR2DRD2DRD4HTR2AKMT2A

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 7 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-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