SCHEMBL3942913

SCHEMBL3942913

CC(=O)N1CC(C(=O)NC(C)[C@@H](C)C(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.67
NR1I2 O75469 1/20 0.56

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
SCHEMBL2159091 0.89 CCR1 (0.82) CCR1NR1I2
SCHEMBL2159099 0.89 CCR1 (0.82) CCR1NR1I2
SCHEMBL3940768 0.88 CCR1 (0.68) CCR1NR1I2
SCHEMBL3941292 0.88 CCR1 (0.62) CCR1
SCHEMBL1668434 0.85 CCR1 (0.66) CCR1NR1I2
SCHEMBL1666273 0.85 CCR1 (0.65) CCR1NR1I2
SCHEMBL3941368 0.85 CCR1 (0.65) CCR1NR1I2
SCHEMBL3945777 0.84 CCR1 (0.80) CCR1
SCHEMBL11904187 0.84 CCR1 (0.80) CCR1
SCHEMBL3948820 0.84 CCR1 (0.61) CCR1NR1I2

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