SCHEMBL7366686

SCHEMBL7366686

O=C(Nc1ccc(O)c(O)c1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.46
ALOX15 P16050 6/20 0.44
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ADORA2B P29275 1/20 0.40
CFTR P13569 3/20 0.39
TOP1 P11387 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
LY96 Q9Y6Y9 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
STAT1 P42224 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLH Q9Y253 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
SCHEMBL7365935 0.88 MAOA (0.47) MAOAMAOBADORA2BNPC1RAB9A
SCHEMBL7364883 0.86 LMNA (0.46) ALOX15MAOAMAOBADORA2BCFTR
SCHEMBL7363737 0.84 LMNA (0.49) ALOX15MAOAMAOBADORA2BCFTR
SCHEMBL7367371 0.82 NTRK3 (0.42) SNCAMAOBCFTRROCK2ROCK1
SCHEMBL7364057 0.82 MAPT (0.43) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL7366047 0.82 ROCK2 (0.42) CFTRROCK2ROCK1NPC1RAB9A
SCHEMBL7360138 0.82 LMNA (0.43) ROCK2ROCK1NPC1RAB9ATP53
SCHEMBL7397449 0.82 MAPT (0.47) ROCK2ROCK1HTTSMN1; SMN2MAPT
SCHEMBL7397423 0.82 NPC1 (0.44) MAOBROCK2ROCK1NPC1RAB9A
SCHEMBL4897236 0.82 CFTR (0.49) CFTRROCK2ROCK1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 EP claimed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO claimed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO claimed
US-5925770-A GAMMA-AMINOBUTYRIC ACID DERIVATIVES FOR DIAGNOSIS OR TREATMENT OF ANXIETY, SLEEP DISORDERS, SEIZURES, OVERDOSES OF BENZODIAZEPINE TYPE DRUGS, COGNITION ACTIVATORS NEUROGEN CORPORATION (US) 1999-07-20 US disclosed
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 EP disclosed
US-5750702-A Certain pyrrolo pyridine-3-carboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1998-05-12 US disclosed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO disclosed
EP-0825193-A1 Certain fused pyrrolecarboxanilides; a new class of gaba brain receptor ligands NEUROGEN CORPORATION (US) 1998-02-25 EP disclosed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO disclosed