SCHEMBL6205597

SCHEMBL6205597

COc1ccc2[nH]cc(C(=O)NCc3cccc(CN(C)Cc4ccccc4)c3)c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.65
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ACHE P22303 4/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
BACE1 P56817 1/20 0.54
ROCK2 O75116 1/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52

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
SCHEMBL6206443 0.91 POLB (0.79) POLBKDM4ELMNAHSD17B10MEN1
SCHEMBL6204181 0.88 POLB (0.80) POLBKDM4ELMNAHSD17B10MEN1
SCHEMBL6205973 0.85 POLB (0.85) POLBKDM4ELMNAHSD17B10ACHE
SCHEMBL6206874 0.83 POLB (0.63) POLBKDM4ELMNAHSD17B10MEN1
SCHEMBL6205558 0.83 POLB (0.57) POLBKDM4ELMNAHSD17B10ACHE
SCHEMBL6204814 0.80 POLB (0.78) POLBKDM4ELMNAHSD17B10ACHE
SCHEMBL6229466 0.80 LMNA (0.69) POLBKDM4ELMNAHSD17B10MEN1
SCHEMBL6205198 0.79 POLB (0.87) POLBKDM4ELMNAHSD17B10MEN1
Hydrochloric Acid SCHEMBL6205976 0.79 LMNA (0.68) POLBKDM4ELMNAHSD17B10MEN1
SCHEMBL6204972 0.79 POLB (1.00) POLBKDM4ELMNAHSD17B10MEN1

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