SCHEMBL14599243

SCHEMBL14599243

CSc1ccc2c(c1)CN(C(=O)[C@@]1(C(C)C)CC[C@@H](N(C(=O)C(F)(F)F)C3CCOCC3)C1)CC2

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.47

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
SCHEMBL14599245 0.87 CCR2 (0.46) CCR2
SCHEMBL14599233 0.87 CCR2 (0.52) CCR2
SCHEMBL14100863 0.87 CCR2 (0.46) CCR2
SCHEMBL13759418 0.80 CCR2 (0.48) CCR2
SCHEMBL14100778 0.80 CCR2 (0.55) CCR2
SCHEMBL13226505 0.79 CCR2 (0.52) CCR2
SCHEMBL13226504 0.79 CCR2 (0.52) CCR2
SCHEMBL14100848 0.79 CCR2 (0.61) CCR2
SCHEMBL14100782 0.79 CCR2 (0.47) CCR2
SCHEMBL14100780 0.79 CCR2 (0.43) CCR2

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-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed