SCHEMBL8935367

SCHEMBL8935367

CC(NC(=O)CCN)c1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.61
F7 P08709 1/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 7/20 0.55
MAOA P21397 2/20 0.55
FFAR1 O14842 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
ALOX5 P09917 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
GID4 Q8IVV7 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
SCHEMBL8935324 0.93 F2 (0.64) F2F7MEN1LMNAKMT2A
SCHEMBL9627186 0.86 ACACB (0.64) F2F7MEN1LMNAKMT2A
SCHEMBL7395373 0.81 F2 (0.58) F2F7MAOBMAOAFFAR1
SCHEMBL1070558 0.81 MAOB (0.56) F2F7MAOBMAOAFFAR1
SCHEMBL9626380 0.80 LTA4H (0.64) MEN1KMT2AMAOBMAOARXRA
SCHEMBL9627722 0.80 MAOB (0.58) F2F7MAOBMAOAFFAR1
SCHEMBL8935322 0.79 GID4 (0.71) KMT2AMAOBMAOARXRARXRB
SCHEMBL9626523 0.78 MAOB (0.54) F2F7MAOBMAOAFFAR1
SCHEMBL21234325 0.78 MAOB (0.67) MAOBMAOAFFAR1RXRARXRB
SCHEMBL9626742 0.77 MAOB (0.56) F2F7MAOBMAOAFFAR1

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