SCHEMBL8935307

SCHEMBL8935307

C[C@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(=O)N(C)C

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.60
MAOB P27338 7/20 0.58
MAOA P21397 2/20 0.57
SCN9A Q15858 1/20 0.57
GID4 Q8IVV7 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53

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
SCHEMBL8935315 0.87 ALOX5 (0.57) ALOX5MAOBMAOASCN9AGID4
SCHEMBL9129586 0.87 MAOB (0.76) MAOBMAOASCN9A
SCHEMBL963148 0.87 MAOB (0.76) MAOBMAOASCN9A
SCHEMBL31060850 0.86 MAOB (0.76) MAOBMAOASCN9A
SCHEMBL2018555 0.86 MAOB (0.76) MAOBMAOASCN9A
SCHEMBL2185997 0.86 MAOB (0.76) MAOBMAOASCN9A
SCHEMBL964395 0.86 MAOB (0.76) MAOBMAOASCN9A
SCHEMBL7394431 0.86 BCHE (0.57) ALOX5MAOBMAOASCN9A
SCHEMBL8935316 0.86 BCHE (0.57) ALOX5MAOBMAOASCN9A
SCHEMBL7393828 0.85 MAOB (0.58) ALOX5MAOBMAOASCN9AGID4

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