SCHEMBL2665083

SCHEMBL2665083

O=C(O)CCNC(=O)c1ccc(C(=O)/C(=C\C(=O)c2cccc(SC(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.44
GIPR P48546 4/20 0.41
CYP2D6 P10635 1/20 0.39
PPARD Q03181 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CHRM4 P08173 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL2647088 0.91 GCGR (0.45) GCGRGIPRCYP2D6PPARDCHRM4
SCHEMBL2647092 0.91 GCGR (0.45) GCGRGIPRCYP2D6PPARDCHRM4
SCHEMBL2665050 0.87 GCGR (0.55) GCGRGIPRPPARDCHRM4TAOK1
SCHEMBL2647182 0.85 GCGR (0.52) GCGRGIPR
SCHEMBL2647180 0.85 GCGR (0.52) GCGRGIPR
SCHEMBL2648057 0.85 SMN1; SMN2 (0.47) GCGRCYP2D6PPARDSMN1; SMN2ALDH1A1
SCHEMBL2665118 0.85 SMN1; SMN2 (0.47) GCGRCYP2D6PPARDSMN1; SMN2ALDH1A1
SCHEMBL2648055 0.85 SMN1; SMN2 (0.47) GCGRCYP2D6PPARDSMN1; SMN2ALDH1A1
SCHEMBL2664958 0.84 GCGR (0.45) GCGRGIPRCYP2D6PPARDSMN1; SMN2
SCHEMBL2649608 0.84 GCGR (0.45) GCGRGIPRCYP2D6PPARDSMN1; SMN2

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
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed