SCHEMBL6205316

SCHEMBL6205316

CCOc1ccc2[nH]cc(C(=O)NCc3ccc(CN4CCN(C(C)=O)CC4)cc3)c(=O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.68
KDM4E B2RXH2 4/20 0.61
HSD17B10 Q99714 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 4/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6205315 0.91 POLB (0.70) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6205594 0.91 POLB (0.82) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6206611 0.91 POLB (0.73) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6203893 0.91 POLB (0.72) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6205266 0.90 POLB (0.70) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6232306 0.89 POLB (0.75) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6227980 0.89 KDM4E (0.73) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6205062 0.87 POLB (0.62) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6206411 0.87 POLB (0.67) POLBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6205957 0.87 POLB (0.64) POLBKDM4EHSD17B10ALDH1A1HPGD

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 2 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