SCHEMBL2654566

SCHEMBL2654566

COC(=O)CCNC(=O)c1ccc(CCCC(C)(C)COc2ccc(Cl)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.42
PPARA Q07869 2/20 0.42
FABP2 P12104 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
GLP1R P43220 1/20 0.40
GCGR P47871 1/20 0.40
ESRRG P62508 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MAPT P10636 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
SCHEMBL2653572 0.85 MEN1 (0.59) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2654251 0.85 MEN1 (0.59) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2654863 0.85 ESRRG (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2661394 0.81 MEN1 (0.48) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2655814 0.81 MEN1 (0.42) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2653412 0.80 PSEN1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1PPARA
SCHEMBL2653473 0.79 ESRRG (0.49) SMN1; SMN2NPC1RAB9AALDH1A1PPARA
SCHEMBL2657400 0.77 GCG (0.50) NPC1RAB9AGLP1RGCGRESRRG
SCHEMBL2655159 0.77 GCGR (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GCGR
SCHEMBL2656186 0.76 GCG (0.49) KMT2AMEN1PPARAGLP1RGCGR

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