SCHEMBL11380494

SCHEMBL11380494

CC(O)(CN)Cc1ccc(SC2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
LNPEP Q9UIQ6 1/20 0.36
PTGIR P43119 1/20 0.34
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.30
RHEB Q15382 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
SCHEMBL11383357 0.83 MAOA (0.40) MAOAMAOBLNPEPPTGIRKMT2A
SCHEMBL11390553 0.83 MAOA (0.40) MAOAMAOBLNPEPPTGIRKMT2A
SCHEMBL11382708 0.81 MAOA (0.38) MAOAMAOBLNPEPPTGIRKMT2A
SCHEMBL11391677 0.81 MAOA (0.38) MAOAMAOBLNPEPPTGIRKMT2A
SCHEMBL507543 0.76 MAOA (0.53) MAOAMAOBPTGIRKMT2AAR
SCHEMBL507295 0.76 MAOA (0.53) MAOAMAOBPTGIRKMT2AAR
SCHEMBL11382175 0.76 TBXAS1 (0.43) MAOAMAOBPTGIR
SCHEMBL11391162 0.75 MAOA (0.40) MAOAMAOBLNPEPPTGIRKMT2A
SCHEMBL2369246 0.74 MAOA (0.50) MAOAMAOBPTGIRKMT2AAR
SCHEMBL11378475 0.74 MAOA (0.42) MAOAMAOBLNPEPPTGIR

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-4285961-A MICROBIOCIDES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-08-25 US disclosed