SCHEMBL7906609

SCHEMBL7906609

O=C(OCc1cccc2c1Cc1ccccc1-2)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.50
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HTR7 P34969 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34

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
SCHEMBL28463245 0.88 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
Trifluoroacetic Acid SCHEMBL7518687 0.86 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1830397 0.84 PNMT (0.57) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7518697 0.84 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1830400 0.83 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8671794 0.83 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5553262 0.82 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6502789 0.82 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7699409 0.82 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL135489 0.82 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B

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-2001083520-A2 POLYACID GLYCOPEPTIDE DERIVATIVES THERAVANCE,INC (US) 2001-11-08 — — WO disclosed
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