SCHEMBL13048973

SCHEMBL13048973

COc1ccc(C2(O)CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00
KCNH2 Q12809 13/20 1.00

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
SCHEMBL745198 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL14281986 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL5058152 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL14264965 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL5058151 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013676 0.97 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013639 0.97 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013675 0.97 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013624 0.96 CCR2 (0.95) CCR2KCNH2
SCHEMBL6013623 0.96 CCR2 (0.95) 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
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed