SCHEMBL8637845

SCHEMBL8637845

CS(=O)(=O)NCC(CO)NCc1ccc(OCCCc2ccccc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.40
SCN3A Q9NY46 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GRIA4 P48058 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL7138723 0.88 FFAR1 (0.46) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8635249 0.84 MAOB (0.46) SCN9A
SCHEMBL8638250 0.82 SCN9A (0.50) SCN9ANPC1RAB9ASMN1; SMN2FAAH
SCHEMBL8637840 0.80 SCN9A (0.56) SCN9AFAAHSCN3A
SCHEMBL1697251 0.76 SCN9A (0.61) SCN9ANPC1RAB9ASCN3AGRIA4
SCHEMBL1697231 0.76 SCN9A (0.61) SCN9ANPC1RAB9ASCN3AGRIA4
SCHEMBL8634796 0.76 SCN9A (0.58) SCN9AFAAHSCN3A
SCHEMBL1697243 0.76 SCN9A (0.61) SCN9ANPC1RAB9ASCN3AGRIA4
SCHEMBL8639409 0.76 BCHE (0.43) NPC1RAB9ASMN1; SMN2KCNH2ALDH1A1
SCHEMBL8638577 0.76 BCHE (0.43) SCN9ANPC1RAB9ASMN1; SMN2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643688-B1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN SPA (IT) 1998-07-29 EP disclosed
US-5446066-A Antiepileptic, antidepressants, antispastic agent FARMITALIA CARLO ERBA S.R.L. (IT) 1995-08-29 US disclosed
EP-0643688-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-03-22 EP disclosed
WO-1994022808-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA SRL (IT) 1994-10-13 WO disclosed