SCHEMBL2665058

SCHEMBL2665058

O=C(CC(C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc(OC(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.51
GIPR P48546 4/20 0.51
TACR1 P25103 1/20 0.43
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY2 Q08462 1/20 0.41
ADCY1 Q08828 1/20 0.41
ADCY4 Q8NFM4 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
GLP1R P43220 2/20 0.40
EPHX2 P34913 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL9071434 0.89 GCGR (0.55) GCGRGIPRTRPV1EPHX2PPARG
SCHEMBL6916108 0.88 GCGR (0.57) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2664967 0.88 GCGR (0.57) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL6915272 0.86 GCGR (0.50) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2664966 0.86 GCGR (0.50) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2665152 0.86 GCGR (0.55) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2665144 0.83 GCGR (0.51) GCGRGIPRTACR1GLP1RPPARD
SCHEMBL2665057 0.83 GCGR (0.43) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2654643 0.83 GCGR (0.55) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL2665059 0.81 GCGR (0.46) GCGRGIPRTRPV1GLP1R

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