SCHEMBL14599151

SCHEMBL14599151

CSC1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCOCC2)C1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.65
KCNH2 Q12809 1/20 0.52

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
SCHEMBL14101039 1.00 CCR2 (0.65) CCR2KCNH2
SCHEMBL14101139 0.91 CCR2 (0.63) CCR2KCNH2
SCHEMBL14100774 0.88 CCR2 (0.69) CCR2KCNH2
SCHEMBL14629244 0.88 CCR2 (0.69) CCR2KCNH2
SCHEMBL14100931 0.88 CCR2 (0.63) CCR2KCNH2
SCHEMBL14101168 0.85 CCR2 (0.76) CCR2
SCHEMBL13789266 0.85 CCR2 (0.65) CCR2KCNH2
SCHEMBL14101104 0.85 CCR2 (0.65) CCR2KCNH2
SCHEMBL13789379 0.85 CCR2 (0.65) CCR2KCNH2
SCHEMBL14100883 0.85 CCR2 (0.67) 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 2 patents. 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
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed