SCHEMBL3645828

SCHEMBL3645828

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

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.58
NR1I2 O75469 1/20 0.44

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
SCHEMBL3643486 0.88 CCR1 (0.58) CCR1
SCHEMBL1665509 0.87 CCR1 (0.56) CCR1NR1I2
Hydrochloric Acid SCHEMBL3949509 0.86 CCR1 (0.55) CCR1NR1I2
SCHEMBL11903716 0.79 CCR1 (0.61) CCR1
SCHEMBL3943994 0.77 CCR1 (0.57) CCR1NR1I2
SCHEMBL3940674 0.76 CCR1 (0.58) CCR1
SCHEMBL3945236 0.76 CCR1 (0.44) CCR1NR1I2
SCHEMBL10291591 0.76 CCR1 (0.64) CCR1NR1I2
SCHEMBL27256300 0.76 CCR1 (0.54) CCR1
SCHEMBL3642430 0.76 CCR1 (0.50) 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-2173713-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2010-04-14 EP disclosed
WO-2009015164-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 WO disclosed