SCHEMBL1668434

SCHEMBL1668434

C=C1CCC(C(=O)NC(C)[C@@H](C)C(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)C1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.66
NR1I2 O75469 2/20 0.57

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
SCHEMBL1666273 0.92 CCR1 (0.65) CCR1NR1I2
SCHEMBL11902245 0.89 CCR1 (0.83) CCR1NR1I2
SCHEMBL1666479 0.89 CCR1 (0.83) CCR1NR1I2
SCHEMBL3940768 0.86 CCR1 (0.68) CCR1NR1I2
SCHEMBL3942913 0.85 CCR1 (0.67) CCR1NR1I2
SCHEMBL3941368 0.85 CCR1 (0.65) CCR1NR1I2
SCHEMBL3943453 0.83 CCR1 (0.66) CCR1NR1I2
SCHEMBL3941292 0.83 CCR1 (0.62) CCR1
SCHEMBL11904187 0.83 CCR1 (0.80) CCR1
SCHEMBL3945777 0.83 CCR1 (0.80) 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-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