SCHEMBL1665890

SCHEMBL1665890

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.80
NR1I2 O75469 1/20 0.62

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
Bms-817399 SCHEMBL18786022 0.89 CCR1 (1.00) CCR1NR1I2
Bms-817399 SCHEMBL1604247 0.89 CCR1 (1.00) CCR1NR1I2
Bms-817399 SCHEMBL1604249 0.89 CCR1 (1.00) CCR1NR1I2
SCHEMBL1666250 0.88 CCR1 (0.63) CCR1NR1I2
SCHEMBL11903984 0.87 CCR1 (0.62) CCR1NR1I2
SCHEMBL1666366 0.86 CCR1 (0.60) CCR1NR1I2
SCHEMBL3940668 0.86 CCR1 (0.74) CCR1
SCHEMBL1668426 0.84 CCR1 (0.65) CCR1NR1I2
SCHEMBL3945777 0.83 CCR1 (0.80) CCR1
SCHEMBL11904187 0.83 CCR1 (0.80) 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-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