SCHEMBL8563892

SCHEMBL8563892

Cc1ccc2c(N3CC(CO)OC3=O)csc2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CALML3 P27482 6/20 0.40
USP25 Q9UHP3 2/20 0.35
USP28 Q96RU2 1/20 0.35
GRM2 Q14416 2/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL8801479 1.00 MAOA (0.46) MAOAMAOBCALML3USP25USP28
SCHEMBL8801297 0.90 F10 (0.40) MAOAMAOBGRM2F10
Hydrochloric Acid SCHEMBL8559952 0.89 F10 (0.39) MAOAMAOBGRM2F10
SCHEMBL8802258 0.85 MAOA (0.49) MAOAMAOBCALML3F10
SCHEMBL8566304 0.85 MAOA (0.49) MAOAMAOBCALML3F10
SCHEMBL8802647 0.84 MAOA (0.40) MAOAMAOBCALML3F10
SCHEMBL8564138 0.84 MAOA (0.40) MAOAMAOBCALML3F10
SCHEMBL8802070 0.83 GRM2 (0.35) MAOBGRM2
SCHEMBL8565047 0.83 GRM2 (0.35) MAOBGRM2
SCHEMBL8801477 0.76 MAOA (0.49) MAOAMAOBCALML3USP25USP28

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
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US disclosed