SCHEMBL5211810

SCHEMBL5211810

Cn1ccnc(N2CCC(C=Cc3cccc(F)c3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.48
▸ MAOA P21397 3/20 0.48
▸ SCD O00767 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.39
▸ APP P05067 1/20 0.38
▸ BACE1 P56817 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A2 O94788 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL5210608 0.77 SCD (0.49) MAOBMAOASCDHRH4ALDH1A1
SCHEMBL27599390 0.71 MAOB (0.44) MAOBMAOASCDL3MBTL1HRH4
SCHEMBL19994617 0.69 MAOB (0.58) MAOBMAOAL3MBTL1NFE2L2ALDH1A1
SCHEMBL19994618 0.69 MAOB (0.58) MAOBMAOAL3MBTL1NFE2L2ALDH1A1
SCHEMBL1475061 0.68 MAOB (0.53) MAOBMAOAL3MBTL1ALDH1A1
SCHEMBL1475057 0.68 MAOB (0.53) MAOBMAOAL3MBTL1ALDH1A1
SCHEMBL20015327 0.66 MAOA (0.54) MAOBMAOA
SCHEMBL14261782 0.66 MAOA (0.54) MAOBMAOA
SCHEMBL20015574 0.66 MAOA (0.56) MAOBMAOANFE2L2
SCHEMBL27599453 0.66 MAOA (0.56) MAOBMAOANFE2L2

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-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 — — EP disclosed
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