SCHEMBL8922063

SCHEMBL8922063

O=C(CCC1CCN(Cc2cccs2)CC1)c1ccc(Nc2ncnc3c2CCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.41
BCHE P06276 4/20 0.41
TRPV1 Q8NER1 2/20 0.38
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL8135732 0.99 ACHE (0.41) ACHEBCHETRPV1LTA4HEPHX2
SCHEMBL8128731 0.87 ACHE (0.58) ACHEBCHE
Hydrochloric Acid SCHEMBL8130199 0.86 ACHE (0.58) ACHEBCHE
SCHEMBL8128236 0.85 ACHE (0.58) ACHEBCHE
SCHEMBL8133724 0.84 ACHE (0.43) ACHEBCHE
SCHEMBL8134936 0.84 ACHE (0.51) ACHEBCHE
SCHEMBL8128991 0.83 TRPV1 (0.35) TRPV1LTA4HEPHX2
SCHEMBL8128993 0.83 TRPV1 (0.35) TRPV1LTA4HEPHX2
SCHEMBL8923379 0.83 ACHE (0.53) ACHEBCHE
SCHEMBL8118767 0.82 ACHE (0.51) ACHEBCHE

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-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US disclosed