SCHEMBL8935406

SCHEMBL8935406

CN(C)C(=O)[C@H](CO)NCc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.63
SCN3A Q9NY46 1/20 0.55
MAOB P27338 5/20 0.50
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
LPAR1 Q92633 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
PTPN1 P18031 3/20 0.44
PTPN2 P17706 1/20 0.44
CDC25B P30305 1/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL7396889 1.00 SCN9A (0.63) SCN9ASCN3AMAOBPARP15PARP14
SCHEMBL7396610 0.87 MAOB (0.53) SCN9AMAOBMMP9MMP8
SCHEMBL8935390 0.87 MAOB (0.53) SCN9AMAOBMMP9MMP8
SCHEMBL965367 0.87 SCN9A (0.76) SCN9ASCN3AMAOBPARP15PARP14
SCHEMBL1070090 0.86 SCN9A (0.64) SCN9ASCN3AMAOBPARP15PARP14
SCHEMBL9129379 0.86 SCN9A (0.64) SCN9ASCN3AMAOBPARP15PARP14
SCHEMBL963780 0.85 SCN9A (0.73) SCN9ASCN3AMAOBPARP15PARP14
SCHEMBL8935359 0.85 MMP9 (0.56) MAOBMMP9MMP8
SCHEMBL8935334 0.85 MMP9 (0.56) MAOBMMP9MMP8
SCHEMBL7395880 0.82 MAOB (0.64) SCN9AMAOBPARP10

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 3 patents. 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
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed