SCHEMBL8839766

SCHEMBL8839766

N#Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
PPARG P37231 6/20 0.46
PPARA Q07869 6/20 0.46
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MMP2 P08253 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CYP19A1 P11511 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8839945 0.86 FFAR1 (0.53) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL5111304 0.84 FFAR1 (0.58) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL7210573 0.84 FFAR1 (0.52) FFAR1PPARGPPARAMAOBHRH3
SCHEMBL5099205 0.83 FFAR1 (0.60) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL4746580 0.82 FFAR1 (0.56) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL4748088 0.82 FFAR1 (0.59) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL7159209 0.82 FFAR1 (0.56) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL13542481 0.81 PPARG (0.62) FFAR1PPARGPPARALMNA
SCHEMBL4747685 0.81 FFAR1 (0.52) FFAR1PPARGPPARAHRH3DRD2
SCHEMBL8839962 0.79 FFAR1 (0.50) FFAR1PPARGPPARAHRH3DRD2

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-5641796-A PHENYL-OXAZOLYL-ALKYLOXY OR THIO-PHENYLALKYL TRIAZOLINE-3-ONE OR THIONE ANTIDIABETIC AGENT ELI LILLY AND COMPANY (US) 1997-06-24 US disclosed