SCHEMBL9071502

SCHEMBL9071502

CC(C)(C)c1ccc(C(=O)/C=C(\C(=O)c2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.51
GIPR P48546 16/20 0.51
GLP1R P43220 5/20 0.48
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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 0.90 GCGR (0.57) GCGRGIPRGLP1REPHX2NR1H4
SCHEMBL2665235 0.86 GCGR (0.60) GCGRGIPRGLP1R
SCHEMBL9071387 0.86 GCGR (0.56) GCGRGIPRGLP1REPHX2NR1H4
SCHEMBL2665128 0.85 GCGR (0.56) GCGRGIPR
SCHEMBL2665091 0.83 GCGR (0.42) GCGRGIPRGLP1REPHX2NR1H4
SCHEMBL2665084 0.81 GCGR (0.42) GCGRGIPRGLP1R
SCHEMBL6910175 0.80 GCGR (0.53) GCGRGIPRGLP1R
SCHEMBL6910313 0.80 GCGR (0.53) GCGRGIPRGLP1R
SCHEMBL6910310 0.80 GCGR (0.53) GCGRGIPRGLP1R
SCHEMBL2665036 0.80 GCGR (0.53) 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