SCHEMBL2653790

SCHEMBL2653790

OCCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 3/20 0.53
STAT3 P40763 1/20 0.53
ATM Q13315 1/20 0.53
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
MAPK1 P28482 1/20 0.46
P2RY14 Q15391 1/20 0.45
PPARA Q07869 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAOB P27338 2/20 0.43

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
SCHEMBL2651325 0.99 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL2651937 0.94 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL2651993 0.92 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL2654041 0.88 PPARA (0.48) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9347912 0.86 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL9347717 0.84 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL10613234 0.84 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL4037850 0.83 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL1549725 0.82 PPARA (0.50) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL30633001 0.82 PPARA (0.50) RAB9ANPC1SMN1; SMN2MAPTSTAT3

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