SCHEMBL8923379

SCHEMBL8923379

O=C(CCC1CCN(Cc2cccc(F)c2)CC1)c1ccc(Nc2ncnc3c2CCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.53
BCHE P06276 2/20 0.46
CHRM4 P08173 1/20 0.45

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 SCHEMBL8124367 0.99 ACHE (0.53) ACHEBCHECHRM4
SCHEMBL8134936 0.90 ACHE (0.51) ACHEBCHECHRM4
SCHEMBL8128731 0.90 ACHE (0.58) ACHEBCHE
Hydrochloric Acid SCHEMBL8130199 0.90 ACHE (0.58) ACHEBCHE
SCHEMBL8128236 0.89 ACHE (0.58) ACHEBCHE
SCHEMBL8118767 0.85 ACHE (0.51) ACHEBCHE
SCHEMBL8133357 0.84 HDAC8 (0.40) ACHECHRM4
SCHEMBL8133359 0.84 HDAC8 (0.40) ACHECHRM4
SCHEMBL8133724 0.83 ACHE (0.43) ACHEBCHE
SCHEMBL8922063 0.83 ACHE (0.41) 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