SCHEMBL13406486

SCHEMBL13406486

CC(C)[C@]1(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(n3cnnn3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.49
KCNH2 Q12809 2/20 0.49

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
SCHEMBL14196762 0.87 CCR2 (0.58) CCR2
SCHEMBL3174466 0.87 CCR2 (0.52) CCR2KCNH2
SCHEMBL13406497 0.85 CCR2 (0.50) CCR2KCNH2
SCHEMBL13406517 0.85 CCR2 (0.53) CCR2KCNH2
SCHEMBL13406530 0.85 CCR2 (0.52) CCR2KCNH2
SCHEMBL3172720 0.84 CCR2 (0.50) CCR2KCNH2
SCHEMBL13406492 0.84 CCR2 (0.55) CCR2KCNH2
SCHEMBL13406542 0.84 CCR2 (0.49) CCR2KCNH2
SCHEMBL13406531 0.83 CCR2 (0.49) CCR2KCNH2
SCHEMBL13406458 0.83 CCR2 (0.49) CCR2KCNH2

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
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed