SCHEMBL2652734

SCHEMBL2652734

COC(=O)CCNC(=O)c1ccc(OCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 5/20 0.48
RAB9A P51151 3/20 0.48
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SLC6A5 Q9Y345 2/20 0.44
MAOB P27338 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
TP53 P04637 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL2653250 1.00 MEN1 (0.57) MEN1KMT2ANPC1RAB9ARHOC
SCHEMBL2653990 0.99 MEN1 (0.56) MEN1KMT2ANPC1RAB9ARHOC
SCHEMBL2654466 0.99 MEN1 (0.56) MEN1KMT2ANPC1RAB9ARHOC
SCHEMBL2653962 0.97 MEN1 (0.58) MEN1KMT2ANPC1RAB9ARHOC
SCHEMBL2655689 0.93 MEN1 (0.50) MEN1KMT2ANPC1RAB9ARHOC
SCHEMBL2655081 0.91 NPC1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2653745 0.90 GCGR (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2654356 0.90 NPC1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2653784 0.90 NPC1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2652938 0.90 MEN1 (0.48) MEN1KMT2ANPC1RAB9ARHOC

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