SCHEMBL5312018

SCHEMBL5312018

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKAB2 O43741 3/20 0.40
PRKAG1 P54619 3/20 0.40
PRKAA2 P54646 3/20 0.40
PRKAA1 Q13131 3/20 0.40
PRKAG3 Q9UGI9 3/20 0.40
PRKAG2 Q9UGJ0 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
MGLL Q99685 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 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
SCHEMBL5307496 0.86 SCD (0.50) MGLLHPGDS
SCHEMBL5311619 0.83 L3MBTL1 (0.49) PRKAA2ALDH1A1SMN1; SMN2RAB9AHPGDS
SCHEMBL5307018 0.80 MEN1 (0.41) TDP1EPHX2MEN1KMT2APRKAB2
SCHEMBL5312015 0.80 KMT2A (0.49) TDP1EPHX2MEN1KMT2APRKAB2
SCHEMBL5312492 0.76 EGLN1 (0.42) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL5309581 0.75 SCD (0.44) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL5307017 0.74 MEN1 (0.44) TDP1EPHX2MEN1KMT2APRKAB2
SCHEMBL5312057 0.73 SCD (0.52) MGLL
SCHEMBL5307322 0.73 SCD (0.54) MGLLALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5306427 0.73 SCD (0.55)

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