SCHEMBL8935335

SCHEMBL8935335

NC(=O)CC(N)Cc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
LTA4H P09960 4/20 0.48
PARP10 Q53GL7 3/20 0.48
LAP3 P28838 1/20 0.45
EPHX2 P34913 1/20 0.44
DPP4 P27487 1/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL8935262 0.85 ACACB (0.54) LTA4HDPP4
SCHEMBL8935407 0.82 PARP10 (0.61) MAOBLTA4HPARP10LAP3
SCHEMBL27571002 0.81 MAOB (0.58) MAOBLTA4HLAP3PPARAPPARG
SCHEMBL6368851 0.81 MAOB (0.58) MAOBLTA4HLAP3PPARAPPARG
SCHEMBL7395944 0.77 MAOB (0.59) MAOB
SCHEMBL8935239 0.77 MAOB (0.63) MAOBPARP10
SCHEMBL289033 0.76 LTA4H (0.67) MAOBLTA4HPARP10LAP3PPARA
SCHEMBL5888154 0.76 LTA4H (0.67) MAOBLTA4HPARP10LAP3PPARA
SCHEMBL8935436 0.75 SCN3A (0.61) MAOBPARP10
SCHEMBL8935281 0.75 MAOB (0.56) MAOBLTA4HLAP3

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