SCHEMBL7363435

SCHEMBL7363435

CCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.41
NR4A2 P43354 3/20 0.41
TP53 P04637 2/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL7364226 0.98 TP53 (0.42) DHODHNR4A2TP53MRGPRX1POLB
SCHEMBL6092670 0.89 DHODH (0.42) DHODHNR4A2LMNAHTTKDM4E
SCHEMBL7400116 0.89 DHODH (0.47) DHODHNR4A2POLBMAPT
SCHEMBL6094311 0.88 DHODH (0.43) DHODHNR4A2TP53MAPTHTT
SCHEMBL6095595 0.87 DHODH (0.40) DHODHNR4A2TP53HTTKDM4E
SCHEMBL7363099 0.87 DHODH (0.46) DHODHNR4A2POLBLMNAMAPT
SCHEMBL7359461 0.87 DHODH (0.44) DHODHNR4A2MEN1LMNAMAPT
SCHEMBL6773568 0.85 L3MBTL1 (0.41) TP53MRGPRX1POLBL3MBTL1ATM
SCHEMBL7397673 0.85 POLB (0.40) DHODHNR4A2TP53MRGPRX1POLB
SCHEMBL6092550 0.85 DHODH (0.39) DHODHNR4A2

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 12 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
US-5484944-A ANXIETY, SLEEP, MEMORY NEUROGEN CORPORATION (US) 1996-01-16 US 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
US-5608079-A MEMORY ENHANCEMENT IN BRAINS NEUROGEN CORPORATION (US) 1997-03-04 US disclosed
EP-0725775-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-08-14 EP disclosed
US-5484944-A ANXIETY, SLEEP, MEMORY NEUROGEN CORPORATION (US) 1996-01-16 US disclosed
WO-1995011885-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1995-05-04 WO disclosed