SCHEMBL9070841

SCHEMBL9070841

CC(N/C(=N/CN)N(Cc1ccc(C(=O)NCCC(=O)O)cc1)c1ccc(C2=CCCCC2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.59
GIPR P48546 16/20 0.59
GLP1R P43220 4/20 0.59
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GCG P01275 1/20 0.39

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
SCHEMBL2665430 0.93 GCGR (0.60) GCGRGIPRGLP1RKMT2ANPC1
SCHEMBL9071075 0.91 GCGR (0.57) GCGRGIPRGLP1RKMT2A
SCHEMBL9070846 0.89 GCGR (0.60) GCGRGIPRGLP1RKMT2A
SCHEMBL7100548 0.89 GCGR (0.69) GCGRGIPRGLP1RKMT2ANPC1
SCHEMBL7100544 0.89 GCGR (0.69) GCGRGIPRGLP1RKMT2ANPC1
SCHEMBL9070847 0.85 GCGR (0.50) GCGRGIPRGLP1R
SCHEMBL2665387 0.84 GCGR (0.78) GCGRGIPRGLP1R
SCHEMBL2665416 0.83 GCGR (0.41) GCGRGIPRGLP1RGCG
SCHEMBL2665453 0.82 GCGR (0.57) GCGRGIPRGLP1RKMT2ANPC1
SCHEMBL2665449 0.82 GCGR (0.62) GCGRGIPRGLP1RKMT2A

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-2003051357-A1 GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed