SCHEMBL8935236

SCHEMBL8935236

NCCC(=O)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.63
MAOA P21397 1/20 0.61
SCN9A Q15858 1/20 0.61
PARP10 Q53GL7 1/20 0.60
NR4A2 P43354 1/20 0.57
PPARA Q07869 1/20 0.57

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
SCHEMBL30604542 0.87 HPGD (0.61) MAOBMAOASCN9APARP10NR4A2
SCHEMBL1534881 0.86 MAOB (0.63) MAOBMAOASCN9APARP10NR4A2
SCHEMBL8935322 0.85 GID4 (0.71) MAOBMAOA
SCHEMBL993098 0.83 MAOB (0.60) MAOBMAOASCN9APARP10NR4A2
SCHEMBL14323980 0.81 MAOB (0.69) MAOBMAOASCN9APARP10NR4A2
SCHEMBL8935244 0.81 MAOB (0.69) MAOBMAOASCN9APARP10NR4A2
SCHEMBL30553733 0.81 MAOB (0.58) MAOBMAOASCN9APARP10NR4A2
SCHEMBL8935432 0.80 SCN3A (0.66) MAOBSCN9APARP10
SCHEMBL993255 0.80 SRC (0.56) MAOBMAOASCN9APARP10NR4A2
SCHEMBL963386 0.79 SPHK2 (0.67) MAOBMAOASCN9APARP10NR4A2

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