SCHEMBL2665693

SCHEMBL2665693

O=C(NCC(F)(F)C(=O)O)c1ccc(CN(C(=O)Nc2ccc(S)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.64
GIPR P48546 12/20 0.62
GLP1R P43220 1/20 0.44
STAT3 P40763 2/20 0.44
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DEGS1 O15121 1/20 0.41

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
SCHEMBL9071337 0.92 GCGR (0.64) GCGRGIPRGLP1RSTAT3HDAC3
SCHEMBL9071332 0.90 GCGR (0.62) GCGRGIPRGLP1RSTAT3
SCHEMBL2665718 0.90 GCGR (0.80) GCGRGIPRGLP1RSTAT3
SCHEMBL9071334 0.88 GCGR (0.60) GCGRGIPRGLP1RSTAT3
SCHEMBL9071354 0.88 GCGR (0.60) GCGRGIPRGLP1RSTAT3
SCHEMBL9071363 0.88 GCGR (0.60) GCGRGIPRGLP1RSTAT3
SCHEMBL2665695 0.88 GCGR (0.73) GCGRGIPRGLP1RSTAT3
SCHEMBL9071339 0.88 GCGR (0.63) GCGRGIPRGLP1RSTAT3
SCHEMBL2665923 0.86 GCGR (0.61) GCGRGIPRSTAT3
SCHEMBL2665931 0.86 GCGR (0.63) GCGRGIPRGLP1RSTAT3

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-2002040446-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST NOVO NORDISK A/S (DK) 2002-05-23 WO disclosed