SCHEMBL5307017

SCHEMBL5307017

O=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
EPHX2 P34913 1/20 0.41
HPGDS O60760 5/20 0.41
PAK1 Q13153 1/20 0.39
P2RX7 Q99572 1/20 0.39
GRM5 P41594 3/20 0.39
EGLN1 Q9GZT9 2/20 0.39
F10 P00742 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
SCHEMBL5314446 0.86 SCD (0.48) KMT2AHPGDS
SCHEMBL5307018 0.82 MEN1 (0.41) MEN1KMT2ATDP1PRKAB2PRKAG1
SCHEMBL5312015 0.80 KMT2A (0.49) MEN1KMT2ATDP1PRKAB2PRKAG1
SCHEMBL5314459 0.76 EGLN1 (0.45) EGLN1
SCHEMBL5309728 0.74 ALDH1A1 (0.41) EGLN1
SCHEMBL5312604 0.74 SCD (0.41) GRM5EGLN1
SCHEMBL5312018 0.74 TDP1 (0.46) MEN1KMT2ATDP1PRKAB2PRKAG1
SCHEMBL5307536 0.74 SCD (0.49)
SCHEMBL5306453 0.73 EGLN1 (0.38) EGLN1
SCHEMBL5315075 0.73 SCD (0.50) 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