SCHEMBL2652250

SCHEMBL2652250

CC(C)(C)OC(=O)CCNC(=O)c1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
S1PR1 P21453 3/20 0.48
S1PR3 Q99500 3/20 0.48
S1PR4 O95977 2/20 0.48
S1PR5 Q9H228 2/20 0.48
PPARG P37231 2/20 0.48
NR1H2 P55055 2/20 0.48
FFAR1 O14842 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL2651560 0.86 S1PR1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2655436 0.83 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2654593 0.82 NPC1 (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6718003 0.81 NPC1 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2653978 0.81 MEN1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2653962 0.80 MEN1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2655081 0.80 NPC1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2653784 0.80 NPC1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2654356 0.80 NPC1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6715945 0.79 MAPT (0.47) NPC1RAB9AMEN1KMT2ASMN1; 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-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