SCHEMBL3940668

SCHEMBL3940668

CNC(=O)NC(C)[C@@H](C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.74

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
SCHEMBL11904187 0.89 CCR1 (0.80) CCR1
SCHEMBL3945777 0.89 CCR1 (0.80) CCR1
SCHEMBL2159476 0.88 CCR1 (0.85) CCR1
SCHEMBL2159471 0.88 CCR1 (0.85) CCR1
SCHEMBL3940908 0.87 CCR1 (0.72) CCR1
SCHEMBL3950030 0.87 CCR1 (0.72) CCR1
SCHEMBL3942581 0.86 CCR1 (0.80) CCR1
SCHEMBL3946371 0.86 CCR1 (0.71) CCR1
SCHEMBL1665890 0.86 CCR1 (0.80) CCR1
SCHEMBL3007113 0.85 CCR1 (1.00) 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