SCHEMBL3944992

SCHEMBL3944992

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

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.66
KCNH2 Q12809 1/20 0.52

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
SCHEMBL10291846 0.90 CCR1 (0.78) CCR1KCNH2
SCHEMBL10291592 0.82 CCR1 (0.76) CCR1KCNH2
SCHEMBL2160389 0.81 CCR1 (0.74) CCR1KCNH2
SCHEMBL2160385 0.81 CCR1 (0.74) CCR1KCNH2
SCHEMBL3944129 0.80 TET3 (0.53) CCR1
SCHEMBL10291910 0.80 CCR1 (1.00) CCR1KCNH2
SCHEMBL2159687 0.80 CCR1 (1.00) CCR1KCNH2
SCHEMBL2159715 0.78 CCR1 (0.82) CCR1
SCHEMBL12398756 0.78 CCR1 (0.82) CCR1
SCHEMBL2159723 0.78 CCR1 (0.82) 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