SCHEMBL8694485

SCHEMBL8694485

CSc1ccc(C(O)[C@H](N)CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.52
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35

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
SCHEMBL3257515 1.00 SLC6A4 (0.52) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL607041 1.00 SLC6A4 (0.52) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL28529746 1.00 SLC6A4 (0.52) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL8370128 1.00 SLC6A4 (0.52) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL3252828 1.00 SLC6A4 (0.52) SLC6A4MAOASLC6A2SLC6A3KDM4E
Hydrochloric Acid SCHEMBL8531133 0.98 SLC6A4 (0.50) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL8954525 0.85 SLC6A4 (0.61) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL9039099 0.84 SLC6A4 (0.50) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL9658639 0.84 SLC6A4 (0.50) SLC6A4MAOASLC6A2SLC6A3KDM4E
SCHEMBL8367079 0.84 SLC6A4 (0.50) SLC6A4MAOASLC6A2SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789599-A Aziridine compounds, methods of preparation and reactions thereof DREXEL UNIVERSITY (US) 1998-08-04 US disclosed
EP-0272684-B1 DERIVATIVES OF N-(METHYLSULPHONYLPHENYLETHYL)-2-PROPENAMIDES AND THEIR USE AS ANTIBIOTICS ZAMBON S.p.A. (IT) 1991-06-12 EP disclosed
US-4918095-A Compositions with antibiotic activity and their use ZAMBON S.P.A. (IT) 1990-04-17 US disclosed
EP-0272684-A2 Derivatives of N-(methylsulphonylphenylethyl)-2-propenamides and their use as antibiotics ZAMBON S.p.A. (IT) 1988-06-29 EP disclosed