SCHEMBL2665732

SCHEMBL2665732

O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccc(S)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.78
GIPR P48546 18/20 0.78
GLP1R P43220 2/20 0.55

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
SCHEMBL2652811 0.92 GCGR (0.78) GCGRGIPRGLP1R
SCHEMBL2652808 0.92 GCGR (0.78) GCGRGIPRGLP1R
SCHEMBL2665588 0.91 GCGR (0.67) GCGRGIPRGLP1R
SCHEMBL2653371 0.90 GCGR (0.78) GCGRGIPRGLP1R
SCHEMBL2665490 0.89 GCGR (0.83) GCGRGIPRGLP1R
SCHEMBL2653814 0.88 GCGR (0.79) GCGRGIPRGLP1R
SCHEMBL2653464 0.88 GCGR (0.82) GCGRGIPRGLP1R
SCHEMBL2653498 0.87 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL6754634 0.87 GCGR (1.00) GCGRGIPRGLP1R
SCHEMBL2665511 0.87 GCGR (0.86) 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-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed