SCHEMBL9686812

SCHEMBL9686812

CC1(CN2C(=O)c3ccccc3C2=O)CN(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.45
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR7 P34969 1/20 0.40
RPS6KA3 P51812 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9686516 0.76 GAA (0.46) GAAKMT2AHSD17B10KDM4EL3MBTL1
SCHEMBL9685910 0.76 CHRNA7 (0.42) HTR1ASMN1; SMN2GAAKMT2AHSD17B10
SCHEMBL9685878 0.74 MAPT (0.43) HTR1AMEN1KMT2AUSP2HTR7
SCHEMBL3026254 0.70 HTR1A (0.83) HTR1ASMN1; SMN2MEN1GAAKMT2A
SCHEMBL10413242 0.68 MAPK1 (0.41) MEN1KMT2AHSD17B10USP2L3MBTL1
SCHEMBL14928448 0.67 CYP1A2 (0.46) RPS6KA2ALDH1A1MAPT
SCHEMBL11824565 0.66 ADRA1A (0.69) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL7986148 0.65 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BHTR7
SCHEMBL3029003 0.65 HTR1A (1.00) HTR1AHTR7
SCHEMBL17789326 0.64 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed