SCHEMBL2653285

SCHEMBL2653285

COC(=O)CCNC(=O)c1ccc(OCCC(C)Cc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.45
GIPR P48546 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 3/20 0.38
VIPR2 P41587 1/20 0.38
GLP1R P43220 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
PPARD Q03181 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARA Q07869 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL2653091 0.92 GCGR (0.53) GCGRGIPRVIPR2GLP1R
SCHEMBL2654932 0.87 GCGR (0.46) GCGRGIPRMEN1KMT2AMAPT
SCHEMBL2655857 0.87 GCGR (0.46) GCGRNPC1MAPTGLP1RPPARD
SCHEMBL2655051 0.85 GCGR (0.55) GCGRGIPRGLP1RPPARDPPARA
SCHEMBL2657426 0.83 GCGR (0.46) GCGRGIPRMAPTVIPR2GLP1R
SCHEMBL2655056 0.81 GCGR (0.47) GCGRGIPRMEN1KMT2AMAPT
SCHEMBL2657424 0.81 GCGR (0.46) GCGR
SCHEMBL2654579 0.80 PPARD (0.43) GCGRGIPRMEN1KMT2ASPHK2
SCHEMBL2656116 0.80 GCGR (0.55) GCGRGIPRMEN1KMT2AGLP1R
SCHEMBL2656001 0.80 GCGR (0.51) GCGRMEN1KMT2ANPC1MAPT

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed