SCHEMBL8935327

SCHEMBL8935327

CC(c1ccc(OCc2cccc(Cl)c2)cc1)C(N)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
MAOA P21397 3/20 0.58
FFAR1 O14842 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
ALOX5 P09917 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
PKM P14618 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
SCHEMBL8935369 0.86 FFAR1 (0.57) MAOBMAOAFFAR1RXRARXRB
SCHEMBL27323062 0.82 MAOB (0.52) MAOBMAOAFFAR1RXRARXRB
SCHEMBL9626469 0.82 MAOB (0.66) MAOBMAOAFFAR1RXRARXRB
SCHEMBL1070558 0.81 MAOB (0.56) MAOBMAOAFFAR1RXRARXRB
SCHEMBL21234325 0.80 MAOB (0.67) MAOBMAOAFFAR1RXRARXRB
SCHEMBL13946908 0.80 MAOB (0.60) MAOBMAOAFFAR1RXRARXRB
SCHEMBL7395373 0.79 F2 (0.58) MAOBMAOAFFAR1RXRARXRB
SCHEMBL8935373 0.79 PKM (0.57) MAOBMAOAFFAR1RXRARXRB
SCHEMBL7398313 0.79 MAOB (0.62) MAOBMAOARXRARXRBRXRG
Hydrochloric Acid SCHEMBL8935265 0.78 MAOB (0.63) MAOBMAOARXRARXRBRXRG

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