SCHEMBL13453375

SCHEMBL13453375

Cc1ccc2c(c1)N=C/C2=C\O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.36
▸ MAOA P21397 11/20 0.36
▸ MAOB P27338 11/20 0.36
▸ HTR2B P41595 11/20 0.36
▸ HTR5A P47898 4/20 0.36
▸ HTR2A P28223 4/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ HTR4 Q13639 2/20 0.35
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CYP46A1 Q9Y6A2 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ GLRA3 O75311 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL29946198 0.71 MAOA (0.33) HTR2CMAOAMAOBHTR2BHTR5A
SCHEMBL23537533 0.64 CYP1A2 (0.41) MAOAMAOBCA1CA2CA4
SCHEMBL12709073 0.61 — —
SCHEMBL24150788 0.59 METAP1 (0.33) MAOAMAOBGAAMAPT
SCHEMBL28662585 0.59 MAOA (0.42) MAOAMAOBCA1CA2CA4
SCHEMBL340066 0.58 TRPA1 (0.68) MAOAMAOBHTR2BCA1CA2
SCHEMBL29819939 0.58 TRPA1 (0.68) MAOAMAOBHTR2BCA1CA2
SCHEMBL9426830 0.57 TRPA1 (0.40) HTR2BALOX5MEN1LMNATP53
SCHEMBL23317928 0.57 MAOA (0.48) HTR2CMAOAMAOBHTR2BHTR5A
SCHEMBL1134706 0.57 MAOA (0.55) MAOAMAOBCA1CA2CA4

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
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
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