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SCHEMBL3348271

SCHEMBL3348271

Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCOC2C(N)=O)s1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 14/20 0.40
▸ HCRTR2 O43614 10/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PTGS2 P35354 3/20 0.38
▸ ALOX5 P09917 1/20 0.37

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
SCHEMBL3348274 0.84 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A1PTGS2
SCHEMBL3343784 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2056852 0.80 HCRTR1 (0.41) HCRTR1HCRTR2PTGS2
SCHEMBL3415462 0.76 HCRTR1 (0.40) HCRTR1HCRTR2PTGS2
SCHEMBL4761846 0.75 PTGS2 (0.54) ALDH1A1PTGS2ALOX5
SCHEMBL2056850 0.75 HCRTR1 (0.40) HCRTR1HCRTR2PTGS2
SCHEMBL3343687 0.75 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3059998 0.73 HCRTR1 (0.54) HCRTR1HCRTR2ALDH1A1
SCHEMBL1339569 0.73 PTGS2 (0.54) ALDH1A1PTGS2ALOX5
SCHEMBL3343763 0.72 HCRTR1 (0.49) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 — — WO claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 — — WO disclosed