SCHEMBL9697633

SCHEMBL9697633

[AsH2]N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
MAOB P27338 2/20 0.58
NOTUM Q6P988 1/20 0.47
TMPRSS2 O15393 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PHGDH O43175 1/20 0.46
MGLL Q99685 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
EED O75530 1/20 0.46

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
SCHEMBL98108 0.73 MAOA (1.00) MAOAMAOBNOTUMHTR1AADRA2A
SCHEMBL29390912 0.73 MAOA (1.00) MAOAMAOBNOTUMHTR1AADRA2A
SCHEMBL15256256 0.71 MAOA (0.58) MAOAMAOBNOTUMTMPRSS2HTR1A
SCHEMBL14886174 0.71 MAOA (0.58) MAOAMAOBNOTUMTMPRSS2HTR1A
SCHEMBL8110651 0.71 MAOA (0.58) MAOAMAOBNOTUMTMPRSS2HTR1A
Hydrochloric Acid SCHEMBL23501375 0.71 MAOA (1.00) MAOAMAOBNOTUMHTR1AADRA2A
SCHEMBL29603392 0.71 MAOA (0.58) MAOAMAOBNOTUMTMPRSS2HTR1A
SCHEMBL98107 0.71 MAOA (0.58) MAOAMAOBNOTUMTMPRSS2HTR1A
SCHEMBL302485 0.71 MAOA (0.58) MAOAMAOBNOTUMTMPRSS2HTR1A
SCHEMBL8872928 0.71 MAOA (0.58) MAOAMAOBNOTUMTMPRSS2HTR1A

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
WO-1992000981-A1 NOVEL 3-SUBSTITUTED CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF DAE WOONG PHARMACEUTICAL CO., LTD. (KR) 1992-01-23 WO disclosed