SCHEMBL8935250

SCHEMBL8935250

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.63
ALOX5 P09917 1/20 0.62
MAOA P21397 3/20 0.60
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
GID4 Q8IVV7 1/20 0.51
FFAR1 O14842 1/20 0.50

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
SCHEMBL7398313 0.85 MAOB (0.62) MAOBALOX5MAOARXRARXRB
SCHEMBL8935283 0.85 RXRA (0.64) MAOBALOX5MAOARXRARXRB
SCHEMBL27312933 0.85 MAOB (0.60) MAOBALOX5FFAR1
SCHEMBL12556150 0.85 PNMT (0.58) MAOBALOX5MAOA
Hydrochloric Acid SCHEMBL8935265 0.84 MAOB (0.63) MAOBALOX5MAOARXRARXRB
SCHEMBL8935267 0.84 MAOB (0.60) MAOBALOX5MAOARXRARXRB
SCHEMBL8935296 0.82 ALOX5 (0.60) MAOBALOX5MAOARXRARXRB
SCHEMBL8935307 0.82 ALOX5 (0.60) MAOBALOX5MAOARXRARXRB
SCHEMBL8935317 0.81 ALOX5 (0.62) MAOBALOX5MAOARXRARXRB
SCHEMBL11212089 0.81 MAOB (0.70) MAOBALOX5MAOARXRARXRB

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