SCHEMBL6582983

SCHEMBL6582983

O=c1[nH]c2ccccc2cc1N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
DAO P14920 1/20 0.49
DDO Q99489 1/20 0.49
KDR P35968 3/20 0.46
MAPT P10636 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
CHEK1 O14757 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KEAP1 Q14145 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4543934 0.98 BRD4 (0.50) BRD4DAODDOKDRMAPT
SCHEMBL9686105 0.95 BRD4 (0.50) BRD4DAODDOKDRMAPT
SCHEMBL31149055 0.86 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL3459225 0.86 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL13801290 0.83 BRD4 (0.45) BRD4DAODDOKDRCHEK1
SCHEMBL14410195 0.81 BRD4 (0.46) BRD4DAODDOKDRCHEK1
SCHEMBL30041257 0.79 HRH4 (0.63) HRH3
SCHEMBL9387635 0.78 ALDH1A1 (0.45) MAPTKDM4CKEAP1HSD17B10KDM4E
SCHEMBL29684111 0.76 HRH3 (0.49) HRH3BCHEACHEKEAP1HSD17B10
SCHEMBL2940750 0.76 HRH3 (0.49) HRH3BCHEACHEKEAP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP disclosed
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 EP disclosed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO disclosed
WO-2002085886-A3 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS DE SOUZA NOEL J (IN) 2003-05-22 WO disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO disclosed