SCHEMBL7399792

SCHEMBL7399792

COc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.45
APLNR P35414 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SCN8A Q9UQD0 5/20 0.43
SCN10A Q9Y5Y9 5/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 1/20 0.43
NAMPT P43490 1/20 0.42
BRD4 O60885 2/20 0.42
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK14 Q16539 1/20 0.41
SLC11A2 P49281 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 1/20 0.40

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 0.89 MAOA (0.47) NPC1RAB9AMAPTSMN1; SMN2PARP1
SCHEMBL6094454 0.89 KCNQ3 (0.42) AXLNPC1RAB9AMAPTSCN8A
SCHEMBL6094495 0.86 FFAR1 (0.45) AXLBRD4
SCHEMBL6092968 0.85 KDR (0.51) AXLBRD4KDR
SCHEMBL6093279 0.84 KDR (0.39) AXLSCN8ASCN10ABRD4KDR
SCHEMBL6095684 0.84 FFAR1 (0.39) AXLBRD4ALDH1A1KDR
SCHEMBL6092101 0.84 BRD4 (0.39) AXLNPC1RAB9AMAPTSCN8A
SCHEMBL6094231 0.83 AXL (0.38) AXLSCN8ASCN10ASMN1; SMN2BRD4
SCHEMBL4322760 0.83 KDR (0.38) AXLSCN8ASCN10ABRD4ALDH1A1
Hydrochloric Acid SCHEMBL6095387 0.83 KDR (0.38) AXLSCN8ASCN10ABRD4ALDH1A1

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 10 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
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
EP-0725775-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-08-14 EP disclosed
WO-1995011885-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1995-05-04 WO disclosed