SCHEMBL2654032

SCHEMBL2654032

COC(=O)CCNC(=O)c1ccc(CCCCOc2ccc(-c3ccc(C(C)(C)C)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GCG P01275 1/20 0.44
ESRRB O95718 1/20 0.44
EPHX2 P34913 4/20 0.43
NR1H4 Q96RI1 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
GCGR P47871 1/20 0.41
GIPR P48546 1/20 0.41
CA1 P00915 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
SCHEMBL2654622 0.92 GCG (0.53) ESRRGNPC1RAB9APOLBCASP3
SCHEMBL2654487 0.91 MEN1 (0.48) NPC1RAB9AMAPTSMN1; SMN2GCG
SCHEMBL2654863 0.90 ESRRG (0.45) ESRRGNPC1RAB9APOLBCASP3
SCHEMBL2655081 0.90 NPC1 (0.54) ESRRGNPC1RAB9APOLBCASP3
SCHEMBL2654356 0.89 NPC1 (0.53) ESRRGNPC1RAB9APOLBCASP3
SCHEMBL2653784 0.89 NPC1 (0.53) ESRRGNPC1RAB9APOLBCASP3
SCHEMBL2652938 0.88 MEN1 (0.48) NPC1RAB9AMAPTSMN1; SMN2GCG
SCHEMBL2653664 0.88 MEN1 (0.48) NPC1RAB9AMAPTSMN1; SMN2GCG
SCHEMBL2655436 0.86 NPC1 (0.55) ESRRGNPC1RAB9APOLBCASP3
SCHEMBL2651240 0.86 MAPT (0.48) NPC1RAB9ACASP3SENP7MAPT

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