SCHEMBL3945852

SCHEMBL3945852

CCOC(=O)CNC(=O)Nc1cccc(C(=O)NC(C=O)[C@@H](C)CN2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.52

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
SCHEMBL3940543 0.92 CCR1 (0.57) CCR1
SCHEMBL3950401 0.92 CCR1 (0.54) CCR1
SCHEMBL3943982 0.82 CCR1 (0.64) CCR1
SCHEMBL2159257 0.82 CCR1 (0.68) CCR1
SCHEMBL3942438 0.82 CCR1 (0.61) CCR1
SCHEMBL3942852 0.81 CCR1 (0.60) CCR1
SCHEMBL3945850 0.80 CCR1 (0.43) CCR1
SCHEMBL3941426 0.79 CCR1 (0.57) CCR1
SCHEMBL3944285 0.79 CCR1 (0.55) CCR1
SCHEMBL3950168 0.78 CCR1 (0.56) 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