SCHEMBL3944306

SCHEMBL3944306

COC(=O)c1cccc(C(=O)NC(C)[C@@H](C)C(=O)N2C[C@@H](O)[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.55
RHOA P61586 1/20 0.38

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
SCHEMBL2159764 0.90 CCR1 (0.60) CCR1
SCHEMBL3950425 0.83 CCR1 (0.62) CCR1
SCHEMBL3940522 0.82 CCR1 (0.53) CCR1
SCHEMBL2160608 0.81 CCR1 (0.71) CCR1
SCHEMBL3950012 0.78 CCR1 (0.55) CCR1
SCHEMBL2159406 0.77 CCR1 (0.70) CCR1
SCHEMBL3949892 0.77 CCR1 (0.72) CCR1
SCHEMBL3943738 0.75 CCR1 (0.81) CCR1
SCHEMBL3643822 0.74 CCR1 (0.64) CCR1
SCHEMBL3943504 0.74 CCR1 (0.66) 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