SCHEMBL4816702

SCHEMBL4816702

CC(NCc1ccc(OCc2cccs2)cc1)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.61
MAOB P27338 2/20 0.60
MAOA P21397 1/20 0.60
HRH3 Q9Y5N1 3/20 0.53
HRH1 P35367 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7397015 1.00 SCN9A (0.61) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL1068665 0.81 SCN9A (0.53) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL1070615 0.81 MAOB (0.74) SCN9AMAOBMAOAHRH3
SCHEMBL4456855 0.81 MAOB (0.74) SCN9AMAOBMAOAHRH3
SCHEMBL7403715 0.81 MAOB (0.74) SCN9AMAOBMAOAHRH3
SCHEMBL8935264 0.81 RAB9A (0.54) NPC1POLBRAB9A
SCHEMBL7390166 0.80 SCN9A (0.70) SCN9AMAOBMAOAHRH3
SCHEMBL7390171 0.80 SCN9A (0.70) SCN9AMAOBMAOAHRH3
SCHEMBL9128520 0.80 MAOB (0.61) SCN9AMAOBMAOAHRH3HRH1
SCHEMBL7398332 0.80 MAOB (0.61) SCN9AMAOBMAOAHRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40259-E1 side effects reduction; compounds active on the central nervous system; chronic and neuropathic pain, anti-epileptic, anti-Parkinson, neuroprotective, antidepressant, antispastic and hypnotic agents; 2-[4-(3-fluorobenzyloxy)benzylamino]-2-methylpropanamide NEWRON PHARMACEUTICALS, S.P.A. (IT) 2008-04-22 US claimed
EP-1045830-B1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS NEWRON PHARM SPA (IT) 2003-04-23 EP claimed
US-6306903-B1 ANALGESICS FOR ALLEVIATION OF CHRONIC AND NEUROPATHIC PAIN. NEWRON PHARMACEUTICALS S.P.A. (IT) 2001-10-23 US claimed
EP-1045830-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS Newron Pharmaceuticals S.p.A. (IT) 2000-10-25 EP claimed
WO-1999035125-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS NEWRON PHARMACEUTICALS S.P.A. (IT) 1999-07-15 WO claimed
US-RE40259-E1 side effects reduction; compounds active on the central nervous system; chronic and neuropathic pain, anti-epileptic, anti-Parkinson, neuroprotective, antidepressant, antispastic and hypnotic agents; 2-[4-(3-fluorobenzyloxy)benzylamino]-2-methylpropanamide NEWRON PHARMACEUTICALS, S.P.A. (IT) 2008-04-22 US disclosed
EP-1045830-B1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS NEWRON PHARM SPA (IT) 2003-04-23 EP disclosed
US-6306903-B1 ANALGESICS FOR ALLEVIATION OF CHRONIC AND NEUROPATHIC PAIN. NEWRON PHARMACEUTICALS S.P.A. (IT) 2001-10-23 US disclosed
EP-1045830-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS Newron Pharmaceuticals S.p.A. (IT) 2000-10-25 EP disclosed
WO-1999035125-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS NEWRON PHARMACEUTICALS S.P.A. (IT) 1999-07-15 WO disclosed
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed
EP-0426816-A1 N-PHENYLALKYL SUBSTITUTED $g(a)-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-15 EP disclosed
EP-0400495-A1 N-phenylalkyl substituted alfa-amino carboxamide derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-05 EP disclosed
WO-1990014334-A1 N-PHENYLALKYL SUBSTITUTED α-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-11-29 WO disclosed