SCHEMBL3950303

SCHEMBL3950303

CC(CC(C)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)NC(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.74
ACE2 Q9BYF1 1/20 0.54
DRD2 P14416 1/20 0.48

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
SCHEMBL2160090 0.85 CCR1 (1.00) CCR1ACE2DRD2
SCHEMBL3941668 0.85 CCR1 (0.78) CCR1ACE2
SCHEMBL3945046 0.84 CCR1 (0.68) CCR1ACE2DRD2
SCHEMBL10291923 0.84 CCR1 (1.00) CCR1
SCHEMBL2160762 0.84 CCR1 (1.00) CCR1
SCHEMBL2159067 0.81 CCR1 (1.00) CCR1ACE2DRD2
SCHEMBL3942442 0.80 CCR1 (0.74) CCR1
SCHEMBL2160013 0.79 CCR1 (1.00) CCR1ACE2
SCHEMBL2160359 0.77 CCR1 (0.85) CCR1
SCHEMBL2160368 0.77 CCR1 (0.85) 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-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