SCHEMBL8935348

SCHEMBL8935348

CN(Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)C(=O)C(N)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
MAOA P21397 1/20 0.55
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SPHK2 Q9NRA0 2/20 0.40
SPHK1 Q9NYA1 2/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL8935310 0.86 MAOB (0.55) MAOB
SCHEMBL8935286 0.84 MAOB (0.54) MAOBMAOAMDM4MDM2MEN1
SCHEMBL8935376 0.80 MAOB (0.60) MAOBADAMTS4MMP13FFAR1FFAR4
SCHEMBL8935232 0.77 FFAR1 (0.51) MEN1KMT2AFFAR1
SCHEMBL8935251 0.76 MAOB (0.58) MAOBMAOA
SCHEMBL8935296 0.74 ALOX5 (0.60) MAOBMAOAFFAR1ALOX5
Hydrochloric Acid SCHEMBL30002091 0.74 MAOB (0.56) MAOBMAOAADAMTS4MMP13KMT2A
SCHEMBL4759812 0.73 MAOB (0.65) MAOBMAOAADAMTS4MMP13FFAR1
SCHEMBL13462731 0.72 MAOB (0.71) MAOBMAOAADAMTS4MMP13KMT2A
SCHEMBL8935297 0.72 MAOB (0.59) MAOBMAOAMEN1KMT2AALDH1A1

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed