SCHEMBL8935318

SCHEMBL8935318

CNC(=O)C(N)(CO)Cc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 6/20 0.53
SCN9A Q15858 2/20 0.53
MAOB P27338 5/20 0.51
PARP15 Q460N3 2/20 0.51
PARP10 Q53GL7 2/20 0.51
PARP14 Q460N5 1/20 0.51
KCNH2 Q12809 5/20 0.47
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
PTPN1 P18031 2/20 0.44
SCN1A P35498 1/20 0.42
SCN4A P35499 1/20 0.42
SCN7A Q01118 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL8935354 0.87 MAOB (0.55) SCN9AMAOB
SCHEMBL8935294 0.87 MAOB (0.51) MAOB
SCHEMBL8935326 0.84 MAOB (0.51) SCN3ASCN9AMAOBPARP15PARP10
SCHEMBL8935258 0.81 MAOB (0.54) SCN9AMAOBPARP10
SCHEMBL8935313 0.80 SCN3A (0.53) SCN3ASCN9AMAOBPARP15PARP10
SCHEMBL8935237 0.78 MAOB (0.51) MAOBPARP10
SCHEMBL8935242 0.78 MAOB (0.51) MAOBPARP10
SCHEMBL8935235 0.78 FFAR1 (0.51)
SCHEMBL8935443 0.78 MAOB (0.60) SCN3ASCN9AMAOBPARP15PARP10
SCHEMBL8935383 0.78 MAOB (0.57) MAOB

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