SCHEMBL4064775

SCHEMBL4064775

NC1Cc2ccccc2N(CC(=O)N2CC(O)C(O)C2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.52
AADAT Q8N5Z0 2/20 0.51
GOT1 P17174 1/20 0.51
KYAT1 Q16773 1/20 0.51
KYAT3 Q6YP21 1/20 0.51
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
ACE P12821 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4075145 0.86 CHRM2 (0.53) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4075043 0.86 CHRM2 (0.56) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4069399 0.86 CHRM2 (0.48) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4064769 0.85 PYGL (0.49) PYGLAADATCHRM2CHRM4CHRM1
SCHEMBL4066762 0.85 PYGL (0.54) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4073097 0.84 CHRM2 (0.51) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4066626 0.83 AADAT (0.49) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4250747 0.83 SMN1; SMN2 (0.55) AADATGOT1KYAT1KYAT3CHRM2
SCHEMBL4891481 0.81 AADAT (0.59) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4072868 0.79 L3MBTL1 (0.46) PYGLAADATGOT1KYAT1KYAT3

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