SCHEMBL2654041

SCHEMBL2654041

OCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAOB P27338 2/20 0.47
KDM1A O60341 2/20 0.47
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 6/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
STAT3 P40763 1/20 0.44
ATM Q13315 1/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
KIF11 P52732 1/20 0.43
LTA4H P09960 1/20 0.41
MIF P14174 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
SCHEMBL2651937 0.91 RAB9A (0.49) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL2651325 0.90 RAB9A (0.51) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL2653790 0.88 RAB9A (0.53) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL1549725 0.87 PPARA (0.50) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL30633001 0.87 PPARA (0.50) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL9351438 0.84 SMN1; SMN2 (0.58) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL2269528 0.81 KIF11 (0.51) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL2056329 0.81 RAB9A (0.56) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL1550000 0.81 CYP11B1 (0.49) PPARACYP11B1CYP11B2MAOBKDM1A
SCHEMBL9347717 0.81 RAB9A (0.66) CYP11B1CYP11B2MAOBKDM1ARAB9A

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