SCHEMBL12465477

SCHEMBL12465477

CC(C)[C@@H](NC(=O)c1cccc(-c2ccc(N)cc2)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.79

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
SCHEMBL12399850 0.96 CCR1 (0.85) CCR1
SCHEMBL12399847 0.94 CCR1 (0.80) CCR1
SCHEMBL12398014 0.93 CCR1 (0.85) CCR1
SCHEMBL12399910 0.93 CCR1 (0.77) CCR1
SCHEMBL12399779 0.93 CCR1 (0.80) CCR1
SCHEMBL12399852 0.93 CCR1 (0.80) CCR1
SCHEMBL12399849 0.92 CCR1 (0.79) CCR1
SCHEMBL2160565 0.92 CCR1 (0.84) CCR1
SCHEMBL12399903 0.92 CCR1 (0.81) CCR1
SCHEMBL12399855 0.92 CCR1 (0.90) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed