SCHEMBL6206094

SCHEMBL6206094

O=C(NCc1cccc(Cn2ccnc2)c1)c1c[nH]c2ccc(Cl)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.56
TBXAS1 P24557 1/20 0.52
NHERF1 O14745 1/20 0.49
GABRP O00591 4/20 0.48
GABRD O14764 4/20 0.48
GABRA1 P14867 4/20 0.48
GABRB1 P18505 4/20 0.48
GABRG2 P18507 4/20 0.48
GABRB3 P28472 4/20 0.48
GABRA5 P31644 4/20 0.48
GABRA3 P34903 4/20 0.48
GABRA2 P47869 4/20 0.48
GABRB2 P47870 4/20 0.48
GABRA4 P48169 4/20 0.48
GABRE P78334 4/20 0.48
GABRA6 Q16445 4/20 0.48
GABRG1 Q8N1C3 4/20 0.48
GABRG3 Q99928 4/20 0.48
GABRQ Q9UN88 4/20 0.48
CYP11B1 P15538 1/20 0.47

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
SCHEMBL6204733 0.93 SNCA (0.62) SNCATBXAS1NHERF1GABRPGABRD
SCHEMBL6204032 0.86 POLB (0.68) POLBBACE1KDM4ELMNATP53
SCHEMBL6206694 0.86 WDR5 (0.47) CYP11B1CYP11B2POLBWDR5
SCHEMBL6205541 0.83 MEN1 (0.52) SNCATBXAS1POLBLMNASMN1; SMN2
SCHEMBL6205202 0.82 NHERF1 (0.53) NHERF1GABRPGABRDGABRA1GABRB1
SCHEMBL6204455 0.80 POLB (0.53) NHERF1GABRPGABRDGABRA1GABRB1
SCHEMBL6205434 0.80 POLB (0.57) SNCANHERF1GABRPGABRDGABRA1
SCHEMBL6204863 0.79 POLB (0.68) SNCAPOLBBACE1KDM4ELMNA
SCHEMBL6207242 0.79 ADORA2A (0.47) SNCAWDR5
SCHEMBL6230225 0.79 NHERF1 (0.55) NHERF1GABRPGABRDGABRA1GABRB1

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
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US claimed
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP disclosed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US disclosed