SCHEMBL3463336

SCHEMBL3463336

O=C(O)c1nc2c(N3CCNCC3)cccc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.55
HTR2A P28223 3/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
PARP1 P09874 3/20 0.45
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NCF1 P14598 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL6637856 0.74 HTR6 (0.64) HTR6HTR2AHTR2CSLC6A4HTR1A
SCHEMBL6081154 0.74 GRIN1 (0.45) PARP1CYP1A2CYP2D6
SCHEMBL6862876 0.74 HTR6 (0.63) HTR6HTR2AHTR2CSLC6A4PARP1
SCHEMBL6079344 0.73 HTR6 (0.47) HTR6HTR2AHTR2CSLC6A4HTR1A
SCHEMBL5363679 0.71 GNRHR (0.66) HTR6HTR2AHTR2CSLC6A4PARP1
SCHEMBL8143591 0.71 HTR6 (0.50) HTR6PARP1
SCHEMBL20449682 0.70 PARP1 (0.56) HTR6PARP1HTR3A
SCHEMBL30124461 0.70 HTR2A (0.55) HTR6HTR2AHTR2CSLC6A4HTR1A
Trifluoroacetic Acid SCHEMBL30355123 0.69 HRH4 (0.48) HTR6HTR2APARP1HTR1AHTR7
SCHEMBL6596699 0.68 HTR5A (0.47) HTR6HTR2AHTR2CSLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4808583-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US claimed
EP-0138018-B1 SOLUTIONS OF LACTIC ACID SALTS OF PIPERAZINYLQUINOLONE AND PIPERAZINYL AZAQUINOLONECARBOXYLIC ACIDS BAYER AG (DE) 1988-11-02 EP claimed
WO-2010146478-A1 PARENTERAL COMPOSITION COMPRISING A FLUOROQUINOLONE COMPOUND AND A NITROIMIDAZOLE COMPOUND RANBAXY LABORATORIES LIMITED (IN) 2010-12-23 WO disclosed
EP-0662833-B1 AQUEOUS COMPOSITION OTSUKA PHARMA CO LTD (JP) 2001-10-24 EP disclosed
US-5686440-A CONTAINING LACTIC ACID AS A SOLUBILIZER AND AN ADDITIVE OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-11-11 US disclosed
US-5563149-A INJECTION OR INFUSION SOLUTIONS WITH SOLUBILIZING AGENT CHEIL FOODS & CHEMICALS, INC. (KR) 1996-10-08 US disclosed
EP-0662833-A1 AQUEOUS COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-07-19 EP disclosed
WO-1995003802-A1 AQUEOUS COMPOSITION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-02-09 WO disclosed
US-4808585-A WITH EXCESS ACID; NONPRECIPITATING BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808585-A WITH EXCESS ACID; NONPRECIPITATING BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808585-A WITH EXCESS ACID; NONPRECIPITATING BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808583-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808583-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4808583-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4705789-A Solutions of lactic acid salts of piperazinylquinolone- and piperazinyl-azaquinolone-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4705789-A Solutions of lactic acid salts of piperazinylquinolone- and piperazinyl-azaquinolone-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4705789-A Solutions of lactic acid salts of piperazinylquinolone- and piperazinyl-azaquinolone-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0138018-A2 Solutions of lactic acid salts of piperazinylquinolone and piperazinyl azaquinolonecarboxylic acids BAYER AG (DE) 1985-04-24 EP disclosed