SCHEMBL3943101

SCHEMBL3943101

CC(NC(=O)OC(C)(C)C)C(C)C(=O)N1CCC(N)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.59
DRD2 P14416 3/20 0.46
NR1I2 O75469 2/20 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
SCHEMBL2159353 0.89 CCR1 (0.73) CCR1NR1I2
SCHEMBL2159343 0.89 CCR1 (0.73) CCR1NR1I2
SCHEMBL2159338 0.89 CCR1 (0.73) CCR1NR1I2
SCHEMBL3949977 0.84 CCR1 (0.78) CCR1
SCHEMBL3943882 0.83 DRD2 (0.59) CCR1DRD2
SCHEMBL3950425 0.79 CCR1 (0.62) CCR1
SCHEMBL3943504 0.78 CCR1 (0.66) CCR1
SCHEMBL3940785 0.78 CCR1 (0.56) CCR1NR1I2
SCHEMBL5045757 0.78 CCR1 (0.54) CCR1DRD2
SCHEMBL13676795 0.77 CCR1 (0.59) CCR1NR1I2

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