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SCHEMBL1668426

SCHEMBL1668426

CC(C)C(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)CNC(=O)NC(C)[C@@H](C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 20/20 0.65
▸ NR1I2 O75469 1/20 0.53

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
SCHEMBL1604088 0.93 CCR1 (0.75) CCR1NR1I2
SCHEMBL1604085 0.93 CCR1 (0.75) CCR1NR1I2
SCHEMBL1604087 0.93 CCR1 (0.75) CCR1NR1I2
SCHEMBL1666366 0.93 CCR1 (0.60) CCR1NR1I2
SCHEMBL1604137 0.88 CCR1 (0.74) CCR1NR1I2
SCHEMBL1604139 0.88 CCR1 (0.74) CCR1NR1I2
SCHEMBL1604144 0.88 CCR1 (0.74) CCR1NR1I2
SCHEMBL1666250 0.86 CCR1 (0.63) CCR1NR1I2
SCHEMBL1665890 0.84 CCR1 (0.80) CCR1NR1I2
SCHEMBL12730790 0.84 CCR1 (0.80) 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-2486013-A1 PRODRUGS OF A PIPERIDINYL DERIVATIVE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
WO-2011044309-A1 PRODRUGS OF A PIPERIDINYL DERIVATIVE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 — — WO disclosed