SCHEMBL4847113

SCHEMBL4847113

NCC(=O)NC1CCN(Cc2ccc(Br)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.62
CCR2 P41597 8/20 0.58
BACE1 P56817 2/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
UTS2R Q9UKP6 2/20 0.55
DRD4 P21917 2/20 0.50

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
SCHEMBL4847104 1.00 SIGMAR1 (0.62) SIGMAR1CCR2BACE1BCHEACHE
SCHEMBL4426840 0.88 CCR2 (0.65) SIGMAR1CCR2DRD4
SCHEMBL4846218 0.88 CCR2 (0.65) SIGMAR1CCR2DRD4
SCHEMBL4426833 0.88 CCR2 (0.65) SIGMAR1CCR2DRD4
SCHEMBL4840965 0.87 CCR2 (0.64) SIGMAR1CCR2BACE1BCHEACHE
SCHEMBL4840950 0.87 CCR2 (0.64) SIGMAR1CCR2BACE1BCHEACHE
Hydrochloric Acid SCHEMBL31462269 0.86 SIGMAR1 (0.65) SIGMAR1CCR2BACE1DRD4
SCHEMBL5434322 0.84 SIGMAR1 (0.58) SIGMAR1CCR2BACE1BCHEACHE
SCHEMBL4591750 0.84 SIGMAR1 (0.58) SIGMAR1CCR2BACE1BCHEACHE
SCHEMBL5421451 0.84 SIGMAR1 (0.58) SIGMAR1CCR2BACE1BCHEACHE

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