SCHEMBL5307018

SCHEMBL5307018

O=C(NC1CC1)c1ccc(N2C=CCN(C(=O)c3ccccc3Cl)C2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGLN1 Q9GZT9 7/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
P2RX7 Q99572 1/20 0.38
HPGDS O60760 2/20 0.37
PAK1 Q13153 1/20 0.37
EPHX2 P34913 1/20 0.37
GRM5 P41594 3/20 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
SCHEMBL5314447 0.86 SCD (0.46) KMT2AEGLN1HPGDS
SCHEMBL5307017 0.82 MEN1 (0.44) MEN1KMT2ATDP1EGLN1PRKAB2
SCHEMBL5312018 0.80 TDP1 (0.46) MEN1KMT2ATDP1EGLN1PRKAB2
SCHEMBL5314462 0.77 EGLN1 (0.44) EGLN1
SCHEMBL5312612 0.76 SCD (0.40) EGLN1
SCHEMBL5309118 0.75 SCD (0.51) EGLN1
SCHEMBL5307539 0.74 SCD (0.47)
SCHEMBL5315077 0.74 SCD (0.47) EGLN1
SCHEMBL5308839 0.74 SCD (0.49)
SCHEMBL5309062 0.74 SCD (0.51) EGLN1

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
WO-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed