SCHEMBL14101162

SCHEMBL14101162

CC(C)C1(C(=O)N2CCc3ccc(Cl)cc3C2)CCC(N(C)C2CCOCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.54
KCNH2 Q12809 1/20 0.45

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
SCHEMBL14100848 0.88 CCR2 (0.61) CCR2
SCHEMBL14101080 0.85 CCR2 (0.49) CCR2
SCHEMBL14101101 0.85 CCR2 (0.48) CCR2KCNH2
SCHEMBL14100711 0.83 CCR2 (0.65) CCR2
SCHEMBL14101159 0.83 CCR2 (0.59) CCR2KCNH2
SCHEMBL13226328 0.77 CCR2 (0.64) CCR2KCNH2
SCHEMBL13226400 0.76 CCR2 (0.46) CCR2KCNH2
SCHEMBL14101221 0.76 CCR2 (0.57) CCR2
SCHEMBL14100948 0.76 CCR2 (0.57) CCR2
SCHEMBL14599243 0.75 CCR2 (0.47) 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