SCHEMBL2656085

SCHEMBL2656085

COC(=O)CCNC(=O)c1ccc(CCCCCCCOc2cc(C)c(-c3ccc(OC(F)(F)F)cc3)c(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.48
GCGR P47871 11/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
GIPR P48546 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL2654997 0.92 GCGR (0.53) TRPV1GCGRCYP3A4CYP2C8CYP2C9
SCHEMBL2653745 0.90 GCGR (0.49) TRPV1GCGREPHX2NR1H4
SCHEMBL2653388 0.89 GCGR (0.49) GCGREPHX2NR1H4
SCHEMBL2652666 0.86 TRPV1 (0.46) TRPV1GCGRCYP3A4CYP2C8CYP2C9
SCHEMBL2654850 0.83 GCGR (0.53) GCGRGIPREPHX2
SCHEMBL2655916 0.83 PPARD (0.49) TRPV1GCGR
SCHEMBL2654466 0.82 MEN1 (0.56)
SCHEMBL2653990 0.82 MEN1 (0.56)
SCHEMBL2655457 0.81 NPC1 (0.44)
SCHEMBL2653848 0.81 RARB (0.48)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed