SCHEMBL3943501

SCHEMBL3943501

O=CC(CN1CCC(c2ccc(Cl)cc2)CC1)NC(=O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.50
KCNH2 Q12809 1/20 0.48
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
CCR5 P51681 1/20 0.45
CCR2 P41597 1/20 0.45
MCHR1 Q99705 1/20 0.44
PRCP P42785 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
SCHEMBL3948928 0.78 CCR1 (0.48) CCR1KCNH2
SCHEMBL3943636 0.78 CCR1 (0.59) CCR1KCNH2
SCHEMBL2159729 0.77 CCR1 (0.67) CCR1KCNH2
SCHEMBL3940825 0.76 CCR1 (0.46) CCR1KCNH2DRD2
SCHEMBL2159204 0.76 CCR1 (0.84) CCR1KCNH2
SCHEMBL10291656 0.75 CCR1 (0.84) CCR1KCNH2
SCHEMBL2159263 0.75 CCR1 (0.85) CCR1KCNH2
SCHEMBL2160096 0.75 CCR1 (0.85) CCR1KCNH2
SCHEMBL2158985 0.74 CCR1 (0.84) CCR1KCNH2
SCHEMBL13776456 0.71 HPGD (0.53)

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