SCHEMBL6205582

SCHEMBL6205582

CCOc1ccc2[nH]cc(C(=O)NCc3cccc(CN4CCN(C)CC4)c3)c(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.70
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
CHRM3 P20309 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL6205667 0.94 POLB (0.77) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6205315 0.92 POLB (0.70) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6205558 0.92 POLB (0.57) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6205180 0.91 KDM4E (0.70) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6205959 0.90 POLB (0.71) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6205594 0.89 POLB (0.82) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6204771 0.86 POLB (0.60) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6206611 0.85 POLB (0.73) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6232306 0.85 POLB (0.75) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6227484 0.85 POLB (0.81) POLBMEN1KMT2AKDM4EALDH1A1

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