SCHEMBL2665235

SCHEMBL2665235

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc(C2=CCCCC2)cc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.60
GIPR P48546 14/20 0.60
GLP1R P43220 4/20 0.60
SERPINE1 P05121 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL9071501 0.88 GCGR (0.57) GCGRGIPRGLP1R
SCHEMBL9071502 0.86 GCGR (0.51) GCGRGIPRGLP1R
SCHEMBL9071384 0.86 GCGR (0.59) GCGRGIPRGLP1RNPC1ALDH1A1
SCHEMBL9071436 0.84 GCGR (0.43) GCGRGIPRGLP1R
SCHEMBL9071437 0.78 GCGR (0.58) GCGRGIPR
SCHEMBL2651577 0.77 GCGR (0.69) GCGRGIPRGLP1RSERPINE1
SCHEMBL2654184 0.77 GCGR (0.69) GCGRGIPRGLP1RSERPINE1
SCHEMBL2652684 0.77 GCGR (0.69) GCGRGIPRGLP1RSERPINE1
SCHEMBL2651188 0.75 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL2651186 0.75 GCGR (1.00) GCGRGIPRGLP1R

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