SCHEMBL4064769

SCHEMBL4064769

NC(=O)C1Cc2ccccc2N(CC(=O)N2CC(O)C(O)C2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.49
ACE P12821 5/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AADAT Q8N5Z0 1/20 0.37

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
SCHEMBL4075040 0.87 CHRM2 (0.54) ALDH1A1MAPTCHRM2CHRM4CHRM1
SCHEMBL4075144 0.87 CHRM2 (0.51) ALDH1A1MAPTCHRM2CHRM4CHRM1
SCHEMBL4069396 0.86 CHRM2 (0.47) PYGLACEALDH1A1MAPTCHRM2
SCHEMBL4066758 0.86 PYGL (0.50) PYGLACEALDH1A1MAPTCHRM2
SCHEMBL4064775 0.85 PYGL (0.52) PYGLACEALDH1A1CHRM2CHRM4
SCHEMBL4073094 0.85 CHRM2 (0.49) PYGLACEALDH1A1MAPTCHRM2
SCHEMBL4066622 0.84 CHRM2 (0.46) ALDH1A1MAPTCHRM2CHRM4CHRM1
SCHEMBL4250746 0.84 MEN1 (0.53) ALDH1A1MAPTCHRM2CHRM4CHRM1
SCHEMBL4072863 0.81 L3MBTL1 (0.46) PYGLACEALDH1A1MAPTCHRM2
SCHEMBL4064789 0.78 POLB (0.47) PYGLACEALDH1A1TSHRAADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed