SCHEMBL2654487

SCHEMBL2654487

COC(=O)CCNC(=O)c1ccc(CCCCCCCOc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GCG P01275 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
GCGR P47871 2/20 0.41
GIPR P48546 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
TP53 P04637 2/20 0.40
FAAH O00519 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39

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
SCHEMBL2651240 0.95 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2653664 0.95 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2652938 0.94 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2654793 0.91 GCG (0.50) MEN1KMT2AGCGCYP4F2CYP4A11
SCHEMBL2654456 0.91 GCG (0.50) MEN1KMT2AGCGCYP4F2CYP4A11
SCHEMBL2655011 0.91 GCG (0.50) MEN1KMT2AGCGCYP4F2CYP4A11
SCHEMBL2662329 0.91 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2654032 0.91 ESRRG (0.47) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2654466 0.90 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2ROCK2
SCHEMBL2653990 0.90 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2ROCK2

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