SCHEMBL8715342

SCHEMBL8715342

CN1c2ccccc2[S+]([O-])c2cc(CCl)ccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.32
NOX1 Q9Y5S8 2/20 0.32
MAOA P21397 1/20 0.31
MEN1 O00255 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8711081 0.84 ALDH1A1 (0.33) TTRNOX1MAOAMEN1ADRA2A
SCHEMBL341222 0.81 MAOA (0.43) TTRNOX1MAOAMEN1ADRA2A
SCHEMBL23051919 0.78 OPRK1 (0.35) MAOAMEN1ADRA2AADRA2BADRA2C
SCHEMBL7766397 0.71
SCHEMBL8711778 0.70 MAOA (0.61) NOX1MAOAMEN1ADRA2AADRA2B
SCHEMBL8711777 0.70 CHRNA7 (0.44) CHRM3
SCHEMBL8711901 0.68 MAOA (0.53) MAOA
SCHEMBL8196598 0.67 HTR2A (0.39) MEN1ADRA2AADRA2BADRA2CCHRM3
SCHEMBL2500814 0.67 CA1 (0.43)
SCHEMBL14288809 0.66 TTR (0.50) TTRL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 US disclosed
CN-1177353-A Novel quinuclidine derivatives having tricyclic fused hereto ring YAMANOUCHI PHARMA CO LTD (JP) 1998-03-25 CN disclosed
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 EP disclosed