SCHEMBL14101051

SCHEMBL14101051

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

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.51

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
SCHEMBL14599253 0.88 CCR2 (0.54) CCR2
SCHEMBL14599269 0.88 CCR2 (0.50) CCR2
SCHEMBL14599271 0.87 CCR2 (0.49) CCR2
SCHEMBL14101219 0.84 CCR2 (0.55) CCR2
SCHEMBL14100764 0.83 CCR2 (0.64) CCR2
SCHEMBL14100811 0.83 CCR2 (0.50) CCR2
SCHEMBL14599257 0.82 CCR2 (0.46) CCR2
SCHEMBL5549022 0.81 CCR2 (0.70) CCR2
SCHEMBL14344815 0.81 CCR2 (0.70) CCR2
SCHEMBL14100700 0.80 CCR2 (0.52) 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