SCHEMBL7294232

SCHEMBL7294232

Cc1c[c]cc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.50
GRM5 P41594 1/20 0.49
ALOX5 P09917 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3065928 0.87 MAOB (0.58) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL339853 0.82 MAOB (0.69) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL8661637 0.81 MEN1 (0.56) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL1072784 0.81 GRM5 (0.62) MAOBGRM5ALOX5LMNACYP1A2
SCHEMBL13841458 0.81 GRM5 (0.62) MAOBGRM5ALOX5LMNACYP1A2
SCHEMBL7349830 0.80 CYP1A2 (0.58) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL27747848 0.79 MAOB (0.64) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL5845963 0.79 MAOB (0.64) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL4316231 0.79 ALOX5 (0.49) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL28928730 0.78 MRGPRX4 (0.48) MAOBALOX5LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed