SCHEMBL2652571

SCHEMBL2652571

O=C(O)CCNC(=O)c1cccc(N(Cc2cccc(OC(F)(F)F)c2)C(=O)Oc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.53
MAPK14 Q16539 1/20 0.46
GIPR P48546 6/20 0.44
GLP1R P43220 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
SERPINE1 P05121 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL2654344 0.95 GCGR (0.47) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2653622 0.94 GCGR (0.51) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2656208 0.93 GCGR (0.54) GCGRGIPRGLP1RSERPINE1CYP3A4
SCHEMBL2655070 0.92 GCGR (0.53) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2656385 0.92 GCGR (0.49) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2653047 0.90 GCGR (0.50) GCGRGIPRGLP1RSERPINE1
SCHEMBL2666420 0.88 GCGR (0.52) GCGRGIPRGLP1RCYP3A4CYP2C8
SCHEMBL2654609 0.88 GCGR (0.52) GCGRGIPRGLP1RCYP3A4CYP2C8
SCHEMBL2654481 0.87 GCGR (0.51) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2659962 0.87 GCGR (0.58) GCGRMAPK14GIPRGLP1RROCK2

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
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed