SCHEMBL2665097

SCHEMBL2665097

O=C(/C=C/c1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
MAOB P27338 6/20 0.46
MAOA P21397 3/20 0.46
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
STAT3 P40763 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
F3 P13726 1/20 0.43
MAPT P10636 3/20 0.43
TNFRSF1A P19438 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7062928 1.00 CYP2D6 (0.48) CYP2D6MAOBMAOACYP1A1CYP1B1
SCHEMBL7062924 0.93 MAPT (0.49) CYP2D6MAOBCYP1A1CYP1B1NPC1
SCHEMBL2647392 0.81 CYP2D6 (0.63) CYP2D6MAOBMAOACYP1A1CYP1B1
SCHEMBL2664943 0.80 NPC1 (0.54) MAOBMAOACYP1A1CYP1B1STAT3
SCHEMBL2648657 0.80 NPC1 (0.54) MAOBMAOACYP1A1CYP1B1STAT3
SCHEMBL3746448 0.77 CYP1A1 (0.58) MAOBMAOACYP1A1CYP1B1STAT3
SCHEMBL2646520 0.76 ABCG2 (0.63) CYP2D6MAOBNPC1RAB9AMAPT
SCHEMBL25216348 0.76 F3 (0.68) CYP2D6MAOBMAOACYP1A1CYP1B1
SCHEMBL25237641 0.76 F3 (0.68) CYP2D6MAOBMAOACYP1A1CYP1B1
SCHEMBL25212966 0.76 F3 (0.68) CYP2D6MAOBMAOACYP1A1CYP1B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed