SCHEMBL9370437

SCHEMBL9370437

OCc1cc(OCc2ccc(C(F)(F)F)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.50
MAOA P21397 5/20 0.47
HMOX1 P09601 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPRB P23467 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
AR P10275 1/20 0.43

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
SCHEMBL9370232 0.86 MAOB (0.50) MAOBMAOAHMOX1AR
SCHEMBL29992952 0.80 CYP4F2 (0.53) MAOBMAOA
SCHEMBL1932252 0.80 CYP4F2 (0.53) MAOBMAOA
SCHEMBL21645942 0.79 ALDH1A1 (0.42)
SCHEMBL11426612 0.78 MAOB (0.67) MAOBHMOX1PTPN2PTPN1PTPRB
SCHEMBL508697 0.77 MAOB (0.70) MAOBHMOX1PTPN2PTPN1PTPRB
SCHEMBL5515224 0.77 MAOB (0.70) MAOBHMOX1PTPN2PTPN1PTPRB
SCHEMBL5512060 0.77 MAOB (0.63) MAOBMAOAPTPN2PTPN1PTPRB
SCHEMBL6442885 0.77 MAOB (0.56) MAOBMAOAAR
SCHEMBL29442871 0.74 NOS3 (0.52)

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
EP-0321385-B1 Substituted thienoimidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AG (DE) 1994-08-17 EP disclosed
US-5114955-A Derivatives with pyridine as gastrointestinal disorders and antisecretory agents HOECHST AKETIENGESELLSCHAFT (DE) 1992-05-19 US disclosed
EP-0321385-A2 Substituted thienoimidazole derivatives, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-21 EP disclosed