SCHEMBL29097941

SCHEMBL29097941

Fc1ccc(COc2ccc3c(c2)CNCC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
MAOA P21397 4/20 0.52
HRH3 Q9Y5N1 1/20 0.50
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MLNR O43193 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
APP P05067 1/20 0.45
MELK Q14680 1/20 0.45

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
SCHEMBL30199270 1.00 MAOB (0.52) MAOBMAOAHRH3ADRA1DADRA1A
SCHEMBL3874331 0.94 MAOB (0.52) MAOBMAOAHRH3ADRA1DADRA1A
SCHEMBL29097880 0.86 MAOB (0.56) MAOBMAOAHRH3
SCHEMBL30199170 0.86 MAOB (0.56) MAOBMAOAHRH3
SCHEMBL30199650 0.86 MAOB (0.52) MAOBMAOAHRH3ADRA2AADRA2B
SCHEMBL3876596 0.86 PNMT (0.58) MAOBMAOAHRH3ADRA2AADRA2B
SCHEMBL30199477 0.86 PNMT (0.58) MAOBMAOAHRH3ADRA2AADRA2B
SCHEMBL29097902 0.86 PNMT (0.58) MAOBMAOAHRH3ADRA2AADRA2B
SCHEMBL29097987 0.86 MAOB (0.52) MAOBMAOAHRH3ADRA2AADRA2B
SCHEMBL30199572 0.86 PNMT (0.58) MAOBMAOAHRH3ADRA2AADRA2B

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-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed