SCHEMBL4841172

SCHEMBL4841172

N[C@@H](Cc1cccs1)C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.55
DRD2 P14416 10/20 0.55
HTR2A P28223 8/20 0.55
SIGMAR1 Q99720 2/20 0.51
CCR2 P41597 6/20 0.49
UTS2R Q9UKP6 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
SCHEMBL4850122 1.00 DRD4 (0.55) DRD4DRD2HTR2ASIGMAR1CCR2
SCHEMBL4842849 0.79 CCR2 (0.57) DRD4DRD2SIGMAR1CCR2
SCHEMBL4840662 0.79 CCR2 (0.57) DRD4DRD2SIGMAR1CCR2
SCHEMBL4840672 0.79 CCR2 (0.57) DRD4DRD2SIGMAR1CCR2
SCHEMBL27950341 0.78 CTSC (0.58)
SCHEMBL4850596 0.78 CCR2 (0.52) DRD4DRD2SIGMAR1CCR2
SCHEMBL4850609 0.78 CCR2 (0.52) DRD4DRD2SIGMAR1CCR2
SCHEMBL4841154 0.75 CCR2 (0.50) DRD4DRD2HTR2ASIGMAR1CCR2
SCHEMBL4850115 0.75 CCR2 (0.50) DRD4DRD2HTR2ASIGMAR1CCR2
SCHEMBL6859397 0.75 DRD2 (0.61) DRD4DRD2SIGMAR1CCR2

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-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