SCHEMBL13981276

SCHEMBL13981276

Cc1cc(CNC(=O)N2CCN(c3c(F)cc(N4C[C@H](CN)OC4=O)cc3F)CCO2)no1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 8/20 0.44
▸ MAOB P27338 5/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ SDHA P31040 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CALML3 P27482 1/20 0.39
▸ F10 P00742 6/20 0.36

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
SCHEMBL10152643 0.91 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13368060 0.90 MAOB (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13981275 0.89 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152644 0.89 MAOA (0.43) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13368042 0.87 MAOA (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13357974 0.84 MAOA (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13358168 0.84 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13368041 0.81 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152366 0.81 MAOB (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152620 0.81 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA

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-2009012-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING Research Foundation Itsuu Laboratory (JP) 2008-12-31 — — EP disclosed
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