SCHEMBL3950571

SCHEMBL3950571

CC(=O)Oc1cccc(C(=O)NC(C)C(C)C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.58
KCNH2 Q12809 1/20 0.57

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
SCHEMBL2160713 0.89 CCR1 (0.74) CCR1KCNH2
SCHEMBL2160708 0.89 CCR1 (0.74) CCR1KCNH2
SCHEMBL3941358 0.85 CCR1 (0.76) CCR1KCNH2
SCHEMBL3942131 0.85 CCR1 (0.62) CCR1KCNH2
SCHEMBL3950594 0.83 CCR1 (0.60) CCR1KCNH2
SCHEMBL3947940 0.83 CCR1 (0.62) CCR1KCNH2
SCHEMBL10291632 0.81 CCR1 (0.76) CCR1KCNH2
SCHEMBL3949619 0.81 CCR1 (0.59) CCR1KCNH2
SCHEMBL10292192 0.80 CCR1 (0.76) CCR1KCNH2
SCHEMBL2159582 0.80 CCR1 (0.76) CCR1KCNH2

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