SCHEMBL3943485

SCHEMBL3943485

CC(NC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccccc2)c1)[C@@H](C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.79

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
SCHEMBL3940998 0.93 CCR1 (0.72) CCR1
SCHEMBL3940718 0.91 CCR1 (0.69) CCR1
SCHEMBL2160111 0.91 CCR1 (0.80) CCR1
SCHEMBL2160120 0.91 CCR1 (0.80) CCR1
SCHEMBL3950548 0.89 CCR1 (0.82) CCR1
SCHEMBL3007118 0.89 CCR1 (1.00) CCR1
SCHEMBL3007113 0.89 CCR1 (1.00) CCR1
SCHEMBL3943809 0.89 CCR1 (1.00) CCR1
SCHEMBL3940502 0.88 CCR1 (0.73) CCR1
SCHEMBL12400585 0.87 CCR1 (0.79) CCR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed