SCHEMBL7399275

SCHEMBL7399275

C[C@H](NCc1ccccc1OCc1ccccc1)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.54
GAA P10253 2/20 0.53
MAOB P27338 5/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOA P21397 2/20 0.50
CCR5 P51681 1/20 0.50

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
SCHEMBL7399278 1.00 SCN9A (0.54) SCN9AGAAMAOBKDM4EMEN1
SCHEMBL8226561 0.83 MAOB (0.53) SCN9AMAOBMAOACCR5
SCHEMBL8803694 0.82 HPGD (0.57) SCN9AGAAMAOBKDM4EMEN1
SCHEMBL23440931 0.82 KDM4E (0.60) SCN9AMAOBKDM4EALDH1A1MAPT
SCHEMBL28505287 0.81 MAOB (0.48) SCN9AMAOBALDH1A1MAOACCR5
SCHEMBL28505288 0.81 MAOB (0.48) SCN9AMAOBALDH1A1MAOACCR5
Hydrochloric Acid SCHEMBL69163 0.81 MME (0.49) GAAKDM4EMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27720377 0.81 MME (0.49) GAAKDM4EMEN1ALDH1A1LMNA
SCHEMBL4456855 0.80 MAOB (0.74) SCN9AMAOBMAOA
SCHEMBL1070615 0.80 MAOB (0.74) SCN9AMAOBMAOA

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 5 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
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
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