SCHEMBL7953520

SCHEMBL7953520

CCCOc1ccc(-n2c(=O)c3c[nH]c4ccccc4n-3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
METAP2 P50579 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.38
CACNA2D1 P54289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PGR P06401 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7953535 0.95 METAP2 (0.47) MAPTMETAP2MEN1KMT2ANPSR1
SCHEMBL7949717 0.91 MAPT (0.53) MAPTMEN1KMT2ANPSR1ADORA3
SCHEMBL7953532 0.84 MAPT (0.51) MAPTMETAP2MEN1KMT2ANPSR1
SCHEMBL7949715 0.82 PGR (0.40) PGRCTSVCTSLKDM4EPOLB
SCHEMBL7951689 0.82 POLB (0.46) PGRADORA3SMN1; SMN2CTSVCTSL
SCHEMBL7949735 0.81 KMT2A (0.42) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL7953522 0.81 NPSR1 (0.54) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL7941792 0.80 SMN1; SMN2 (0.43) METAP2KMT2AHTTNPSR1PGR
SCHEMBL7941798 0.80 PGR (0.46) MEN1KMT2APGRKDM4EL3MBTL1
SCHEMBL7949713 0.80 NTRK1 (0.41) MAPTMEN1KMT2ANPSR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US claimed
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP claimed
US-5688654-A GAMMA-AMINOBUTYRIC ACID NEUROGEN CORPORATION (US) 1997-11-18 US claimed
EP-0639275-B1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORP (US) 1997-09-17 EP claimed
WO-1993022681-A1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORPORATION (US) 1993-11-11 WO claimed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP claimed
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US claimed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO claimed
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US disclosed
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP disclosed
US-5744602-A PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS NEUROGEN CORPORATION (US) 1998-04-28 US disclosed
US-5688654-A GAMMA-AMINOBUTYRIC ACID NEUROGEN CORPORATION (US) 1997-11-18 US disclosed
EP-0639275-B1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORP (US) 1997-09-17 EP disclosed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP disclosed
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US disclosed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO disclosed