SCHEMBL8935328

SCHEMBL8935328

CC(N)(Cc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
MAOB P27338 8/20 0.60
MAOA P21397 3/20 0.60
ALOX5 P09917 1/20 0.58
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
RXRG P48443 1/20 0.57
S1PR1 P21453 1/20 0.51
S1PR5 Q9H228 1/20 0.51

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
SCHEMBL28510237 0.89 RXRA (0.59) PKMMAOBMAOAALOX5RXRA
SCHEMBL8935325 0.87 PKM (0.57) PKMMAOBMAOAALOX5RXRA
SCHEMBL28510234 0.86 MAOB (0.57) MAOBMAOA
SCHEMBL8935241 0.85 MAOB (0.63) MAOBMAOA
SCHEMBL27309675 0.84 PARP10 (0.57) MAOBMAOAALOX5
SCHEMBL8935449 0.84 MAOB (0.58) PKMMAOBMAOAALOX5RXRA
Hydrochloric Acid SCHEMBL27353104 0.83 PARP10 (0.56) MAOBMAOAALOX5
SCHEMBL8935444 0.82 RXRA (0.60) PKMMAOBMAOAALOX5RXRA
SCHEMBL27310687 0.81 NPC1 (0.51) MAOBALOX5
SCHEMBL28491486 0.81 MAOB (0.54) MAOBMAOA

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