SCHEMBL27554765

SCHEMBL27554765

CCN(CCc1ccccc1)Cc1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.55
▸ MAOA P21397 2/20 0.55
▸ BCHE P06276 2/20 0.54
▸ MAPT P10636 1/20 0.53
▸ OPRM1 P35372 2/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ AOC3 Q16853 1/20 0.51
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50

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
SCHEMBL17539703 1.00 MAOB (0.55) MAOBMAOABCHEMAPTOPRM1
SCHEMBL3158647 0.90 MAOB (0.63) MAOBMAOAMAPTOPRM1AOC3
SCHEMBL19245649 0.90 MAOB (0.63) MAOBMAOABCHEMAPTOPRM1
SCHEMBL12126536 0.89 BCHE (0.62) MAOBBCHEOPRM1CHRM2HTR1A
SCHEMBL3158397 0.88 MAPT (0.56) MAOBMAOABCHEMAPTAOC3
SCHEMBL12128162 0.85 BCHE (0.55) MAOBBCHEOPRM1CHRM2HTR1A
SCHEMBL9630022 0.84 GFER (0.54) MAOBMAOAMAPTOPRM1CHRM2
SCHEMBL3161700 0.84 GFER (0.54) MAOBMAOAMAPTOPRM1CHRM2
SCHEMBL12128173 0.83 L3MBTL1 (0.56) BCHEOPRM1CHRM2HTR1AADRA2A
SCHEMBL12128225 0.83 L3MBTL1 (0.56) BCHEOPRM1CHRM2HTR1AADRA2A

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
CN-1303374-A Substituted indolinones, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2001-07-11 — — CN disclosed
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