SCHEMBL14100802

SCHEMBL14100802

CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCCOC2)C1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.71

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
SCHEMBL14101168 0.90 CCR2 (0.76) CCR2
SCHEMBL14100772 0.88 CCR2 (0.70) CCR2
SCHEMBL14100898 0.87 CCR2 (0.69) CCR2
SCHEMBL4944709 0.87 CCR2 (0.69) CCR2
SCHEMBL4945156 0.87 CCR2 (0.69) CCR2
SCHEMBL14101024 0.87 CCR2 (0.69) CCR2
SCHEMBL14100895 0.87 CCR2 (0.69) CCR2
SCHEMBL14599291 0.87 CCR2 (0.73) CCR2
SCHEMBL14100693 0.87 CCR2 (0.73) CCR2
SCHEMBL14629238 0.87 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 2 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