SCHEMBL2653572

SCHEMBL2653572

COC(=O)CCNC(=O)c1ccc(CCCCCOc2ccc(Cl)nc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 7/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GLP1R P43220 1/20 0.41
GCGR P47871 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL2654251 1.00 MEN1 (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2654566 0.85 KMT2A (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2652522 0.84 MEN1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2653059 0.84 NPC1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2661669 0.84 NPC1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2654532 0.83 HSP90AA1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2654708 0.83 HSP90AA1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2655517 0.82 HSP90AA1 (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2654487 0.81 MEN1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3222138 0.81 CYP4A11 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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