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SCHEMBL15949221

SCHEMBL15949221

COC(=O)Oc1ccc(-c2ccc(C(CC(=NO)c3ccnc(C)c3)c3ccccc3C)cc2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.65
▸ FAAH O00519 1/20 0.38
▸ CTSA P10619 11/20 0.37
▸ MAOB P27338 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL15949323 0.90 GPBAR1 (0.77) GPBAR1CTSALMNAHTT
SCHEMBL363921 0.89 GPBAR1 (0.70) GPBAR1FAAHCTSAMAOBLMNA
SCHEMBL364422 0.89 GPBAR1 (0.70) GPBAR1FAAHCTSAMAOBLMNA
SCHEMBL10240967 0.89 GPBAR1 (0.70) GPBAR1FAAHCTSAMAOBLMNA
SCHEMBL363345 0.87 GPBAR1 (0.80) GPBAR1FAAHCTSACYP2C19LMNA
SCHEMBL1389929 0.87 GPBAR1 (0.80) GPBAR1FAAHCTSACYP2C19LMNA
SCHEMBL10240968 0.87 GPBAR1 (0.80) GPBAR1FAAHCTSACYP2C19LMNA
SCHEMBL15949282 0.83 GPBAR1 (0.79) GPBAR1CTSA
SCHEMBL15949051 0.83 GPBAR1 (0.79) GPBAR1CTSA
SCHEMBL15949249 0.83 GPBAR1 (0.79) GPBAR1CTSA

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP claimed
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