SCHEMBL2665050

SCHEMBL2665050

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc(C2CCCCC2)cc1)c1cccc(SC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.55
GIPR P48546 10/20 0.55
GLP1R P43220 2/20 0.35
PPARD Q03181 2/20 0.34
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CHRM4 P08173 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CCR2 P41597 2/20 0.33
KCNH2 Q12809 1/20 0.33
KIF11 P52732 1/20 0.33
SERPINE1 P05121 1/20 0.33

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
SCHEMBL2665083 0.87 GCGR (0.44) GCGRGIPRPPARDTAOK1TAOK3
SCHEMBL2664963 0.84 GCGR (0.41) GCGRGIPRGLP1RPPARD
SCHEMBL2664962 0.84 GCGR (0.40) GCGRGIPRPPARD
SCHEMBL2665047 0.84 GCGR (0.45) GCGRGIPRPPARGPPARA
SCHEMBL2665220 0.82 GCGR (0.46) GCGRGIPRPPARDTAOK1TAOK3
SCHEMBL9071500 0.81 GCGR (0.47) GCGRGIPRTAOK1TAOK3
SCHEMBL6910313 0.81 GCGR (0.53) GCGRGIPRGLP1RPPARDTAOK1
SCHEMBL2665036 0.81 GCGR (0.53) GCGRGIPRGLP1RPPARDTAOK1
SCHEMBL6910175 0.81 GCGR (0.53) GCGRGIPRGLP1RPPARDTAOK1
SCHEMBL6910310 0.81 GCGR (0.53) GCGRGIPRGLP1RPPARDTAOK1

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