SCHEMBL747979

SCHEMBL747979

Cc1cccc(C(=O)NC2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.65
KCNH2 Q12809 5/20 0.65

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
SCHEMBL743313 1.00 CCR2 (0.65) CCR2KCNH2
SCHEMBL747675 0.90 CCR2 (0.66) CCR2KCNH2
SCHEMBL745814 0.89 CCR2 (0.68) CCR2KCNH2
SCHEMBL744250 0.88 CCR2 (0.73) CCR2KCNH2
SCHEMBL744325 0.88 CCR2 (0.67) CCR2KCNH2
SCHEMBL744118 0.88 CCR2 (0.75) CCR2KCNH2
SCHEMBL5236567 0.87 CCR2 (0.76) CCR2KCNH2
SCHEMBL745806 0.87 CCR2 (0.76) CCR2KCNH2
SCHEMBL740564 0.85 CCR2 (0.76) CCR2KCNH2
SCHEMBL5236811 0.85 CCR2 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed