SCHEMBL7210573

SCHEMBL7210573

Nc1ccc(OCCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
PPARG P37231 8/20 0.48
PPARA Q07869 8/20 0.48
HRH3 Q9Y5N1 1/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5111304 0.86 FFAR1 (0.58) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL5099205 0.85 FFAR1 (0.60) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL4748088 0.84 FFAR1 (0.59) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL8839766 0.84 FFAR1 (0.50) FFAR1RAB9ANPC1PPARGPPARA
SCHEMBL7159209 0.84 FFAR1 (0.56) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL4746580 0.84 FFAR1 (0.56) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL13542481 0.83 PPARG (0.62) FFAR1PPARGPPARAKMT2AMEN1
SCHEMBL4747685 0.83 FFAR1 (0.52) FFAR1RAB9APPARGPPARAHRH3
SCHEMBL8623337 0.82 FFAR1 (0.59) FFAR1PPARGPPARAKMT2AALDH1A1
SCHEMBL8839914 0.82 FFAR1 (0.54) FFAR1PPARGPPARAMAPTKMT2A

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
US-6617343-B1 Treating non-insulin-dependent diabetes mellitus ELI LILLY AND COMPANY 2003-09-09 US disclosed