SCHEMBL8935369

SCHEMBL8935369

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
MAOB P27338 6/20 0.56
MAOA P21397 3/20 0.56
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
ALOX5 P09917 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
PKM P14618 1/20 0.49
F2 P00734 1/20 0.49
F7 P08709 1/20 0.49

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
SCHEMBL8935327 0.86 MAOB (0.58) FFAR1MAOBMAOARXRARXRB
SCHEMBL9626469 0.80 MAOB (0.66) FFAR1MAOBMAOARXRARXRB
SCHEMBL7395944 0.80 MAOB (0.59) FFAR1MAOBMAOARXRARXRB
SCHEMBL7395373 0.80 F2 (0.58) FFAR1MAOBMAOARXRARXRB
SCHEMBL21234325 0.79 MAOB (0.67) FFAR1MAOBMAOARXRARXRB
SCHEMBL27323062 0.78 MAOB (0.52) FFAR1MAOBMAOARXRARXRB
SCHEMBL8935373 0.77 PKM (0.57) FFAR1MAOBMAOARXRARXRB
SCHEMBL1070558 0.77 MAOB (0.56) FFAR1MAOBMAOARXRARXRB
SCHEMBL8935324 0.76 F2 (0.64) FFAR1MAOBMAOARXRARXRB
SCHEMBL9627186 0.75 ACACB (0.64) FFAR1MAOBMAOARXRARXRB

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