SCHEMBL9130305

SCHEMBL9130305

SCc1ncc(OCc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.50
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAOB P27338 6/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.46
LTA4H P09960 1/20 0.45
ALKBH1 Q13686 1/20 0.44

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
SCHEMBL20550846 0.81 P4HTM (0.54) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL24323560 0.81 P4HTM (0.50) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL14067178 0.77 LMNA (0.62) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL457443 0.77 P4HTM (0.53) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL504815 0.77 MAOB (0.60) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL1713718 0.77 P4HTM (0.53) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL18297527 0.77 MAOB (0.55) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL8108514 0.76 P4HTM (0.49) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL11034436 0.76 P4HTM (0.49) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL28646599 0.76 RAB9A (0.52) P4HTMLMNACYP1A2PTGS1SLC6A2

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-5444059-A Anxiolytic agents LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 1995-08-22 US claimed
EP-0610140-A1 2- 4-(4-Azolylbutyl)-1-piperazinyl -5-hydroxypyrimidin derivatives, their preparation and their use als medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1994-08-10 EP claimed
US-5444059-A Anxiolytic agents LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 1995-08-22 US disclosed
EP-0610140-A1 2- 4-(4-Azolylbutyl)-1-piperazinyl -5-hydroxypyrimidin derivatives, their preparation and their use als medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1994-08-10 EP disclosed