SCHEMBL749412

SCHEMBL749412

COc1cccc(C2(O)CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.90
KCNH2 Q12809 8/20 0.90

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
SCHEMBL744516 1.00 CCR2 (0.90) CCR2KCNH2
SCHEMBL3334446 0.95 CCR2 (1.00) CCR2KCNH2
SCHEMBL13302062 0.95 CCR2 (1.00) CCR2KCNH2
SCHEMBL5236811 0.90 CCR2 (0.80) CCR2KCNH2
SCHEMBL746448 0.90 CCR2 (0.80) CCR2KCNH2
SCHEMBL745198 0.87 CCR2 (1.00) CCR2KCNH2
SCHEMBL14264965 0.87 CCR2 (1.00) CCR2KCNH2
SCHEMBL13048973 0.87 CCR2 (1.00) CCR2KCNH2
SCHEMBL5058152 0.87 CCR2 (1.00) CCR2KCNH2
SCHEMBL14281986 0.87 CCR2 (1.00) 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