SCHEMBL7388445

SCHEMBL7388445

O=C(Nc1ccc2ccccc2n1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 8/20 0.50
SORT1 Q99523 1/20 0.45
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
RPS6KA3 P51812 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
MAPK1 P28482 1/20 0.40
MTOR P42345 1/20 0.40
WNT3A P56704 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL7384597 0.86 KDM4E (0.45) NPC1RAB9AKMT2A
SCHEMBL7388529 0.84 BUB1 (0.38) NPC1RAB9AKMT2A
SCHEMBL6770508 0.83 NPC1 (0.48) NPC1RAB9ASORT1KMT2ACASP3
SCHEMBL7388480 0.81 NPC1 (0.34) NPC1RAB9ASORT1ADORA2A
SCHEMBL7385161 0.81 BUB1 (0.49) NPC1RAB9AKMT2A
SCHEMBL7393725 0.80 KDR (0.51) NPC1RAB9AMAPT
SCHEMBL7384846 0.79 RAB9A (0.34) NPC1RAB9ASORT1CASP3SENP7
SCHEMBL4897236 0.78 CFTR (0.49) KMT2A
SCHEMBL7360053 0.76 CFTR (0.49) KMT2A
SCHEMBL6092857 0.76 DHODH (0.35) NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096887-A USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND FOR ENHANCEMENT OF MEMORY. NEUROGEN CORPORATION (US) 2000-08-01 US claimed
US-6096887-A USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND FOR ENHANCEMENT OF MEMORY. NEUROGEN CORPORATION (US) 2000-08-01 US disclosed
US-5723462-A SLEEP AND SEIZURE DISORDERS; COGNITION ACTIVATORS, ANXIOLYTIC AGENTS NEUROGEN CORPORATION (US) 1998-03-03 US disclosed
WO-1998002433-A1 CERTAIN FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO disclosed