SCHEMBL14100799

SCHEMBL14100799

CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.69

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
SCHEMBL14101065 0.90 CCR2 (0.73) CCR2
SCHEMBL14101167 0.87 CCR2 (0.75) CCR2
SCHEMBL14599289 0.86 CCR2 (0.69) CCR2
SCHEMBL13645893 0.86 CCR2 (0.70) CCR2
SCHEMBL14344599 0.86 CCR2 (0.70) CCR2
SCHEMBL14101168 0.83 CCR2 (0.76) CCR2
SCHEMBL14101175 0.82 CCR2 (0.73) CCR2
SCHEMBL14100827 0.82 CCR2 (0.73) CCR2
SCHEMBL5549049 0.81 CCR2 (0.75) CCR2
SCHEMBL14100802 0.80 CCR2 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP disclosed
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