SCHEMBL14101124

SCHEMBL14101124

Bc1ccc2c(c1)CN(C(=O)[C@@]1(C(C)C)CCC(NC3CCOCC3)C1)CC2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.57
CCR5 P51681 1/20 0.53

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
SCHEMBL14599174 0.89 CCR2 (0.65) CCR2CCR5
SCHEMBL14100711 0.89 CCR2 (0.65) CCR2CCR5
SCHEMBL14101060 0.89 CCR2 (0.65) CCR2CCR5
SCHEMBL14100778 0.88 CCR2 (0.55) CCR2CCR5
SCHEMBL14101225 0.88 CCR2 (0.64) CCR2
SCHEMBL14599178 0.87 CCR2 (0.57) CCR2CCR5
SCHEMBL14100709 0.87 CCR2 (0.57) CCR2CCR5
SCHEMBL14101168 0.87 CCR2 (0.76) CCR2
SCHEMBL14599244 0.87 CCR2 (0.55) CCR2CCR5
SCHEMBL14599232 0.85 CCR2 (0.65) 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
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP disclosed