SCHEMBL1665509

SCHEMBL1665509

CC(CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(N)C=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.56
NR1I2 O75469 1/20 0.42

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
Hydrochloric Acid SCHEMBL3949509 0.99 CCR1 (0.55) CCR1NR1I2
SCHEMBL3945236 0.89 CCR1 (0.44) CCR1NR1I2
SCHEMBL3645828 0.87 CCR1 (0.58) CCR1NR1I2
Hydrochloric Acid SCHEMBL3942169 0.83 CCR1 (0.41) CCR1
SCHEMBL11903716 0.83 CCR1 (0.61) CCR1
Hydrochloric Acid SCHEMBL3942472 0.82 CCR3 (0.48) CCR1
SCHEMBL3943994 0.81 CCR1 (0.57) CCR1NR1I2
SCHEMBL3643486 0.81 CCR1 (0.58) CCR1
SCHEMBL3940674 0.80 CCR1 (0.58) CCR1
SCHEMBL1873951 0.79 CCR1 (0.69) 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 4 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
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