SCHEMBL1668433

SCHEMBL1668433

CC(NC(=O)[C@@H]1CCC2(CCNC(=O)O2)C1)[C@@H](C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.56
NR1I2 O75469 2/20 0.49

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
SCHEMBL11902366 0.91 CCR1 (0.70) CCR1NR1I2
SCHEMBL1665899 0.91 CCR1 (0.70) CCR1NR1I2
SCHEMBL1666460 0.84 CCR1 (0.57) CCR1NR1I2
SCHEMBL1666342 0.84 CCR1 (0.71) CCR1NR1I2
SCHEMBL1666354 0.84 CCR1 (0.71) CCR1NR1I2
SCHEMBL1666487 0.84 CCR1 (0.55) CCR1NR1I2
SCHEMBL1665891 0.82 CCR1 (0.56) CCR1NR1I2
SCHEMBL1665900 0.81 CCR1 (0.50) CCR1NR1I2
SCHEMBL3941368 0.81 CCR1 (0.65) CCR1NR1I2
SCHEMBL3940768 0.81 CCR1 (0.68) 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-2486034-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed