SCHEMBL14107490

SCHEMBL14107490

COc1nc(C(F)(F)F)cc(CO[Si](C)(C)C(C)(C)C)c1CCNC(=O)[C@@]1(C(C)C)CC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.39

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
SCHEMBL14107491 0.91 CCR2 (0.42) CCR2
SCHEMBL4872156 0.81 NQO2 (0.39) —
SCHEMBL4864493 0.70 NQO2 (0.40) —
SCHEMBL14169378 0.69 CCR2 (0.70) CCR2
SCHEMBL4867741 0.68 TAAR1 (0.35) —
SCHEMBL4792743 0.68 MAPT (0.33) —
SCHEMBL13691503 0.67 CCR2 (0.51) CCR2
SCHEMBL14169662 0.67 CCR2 (0.63) CCR2
SCHEMBL14513598 0.66 CCR2 (0.52) CCR2
SCHEMBL4792692 0.66 BACE1 (0.30) —

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-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 — — US disclosed
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