SCHEMBL3940674

SCHEMBL3940674

C[C@@H](CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C=O)NC(=O)[C@H](N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.58

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
SCHEMBL11903716 0.87 CCR1 (0.61) CCR1
SCHEMBL3943994 0.83 CCR1 (0.57) CCR1
SCHEMBL3942438 0.80 CCR1 (0.61) CCR1
SCHEMBL1665509 0.80 CCR1 (0.56) CCR1
Hydrochloric Acid SCHEMBL3949509 0.79 CCR1 (0.55) CCR1
SCHEMBL3950270 0.79 CCR1 (0.55) CCR1
SCHEMBL3942852 0.78 CCR1 (0.60) CCR1
SCHEMBL3941484 0.78 CCR1 (0.51) CCR1
SCHEMBL1873951 0.78 CCR1 (0.69) CCR1
SCHEMBL1666481 0.77 CCR1 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471773-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-03-23 EP 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