SCHEMBL25045346

SCHEMBL25045346

CN1CCN(CCNCCO)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
TERT O14746 1/20 0.35
GAA P10253 1/20 0.33
HRH4 Q9H3N8 1/20 0.31
DPP4 P27487 1/20 0.31
FGFR4 P22455 1/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL14357416 0.82 GAA (0.39) KMT2AGAANPC1RAB9A
SCHEMBL4024912 0.79 GAA (0.37) KMT2AGAANPC1RAB9A
SCHEMBL11894311 0.77 KMT2A (0.45) KMT2AGAANPC1RAB9A
SCHEMBL5476779 0.76 KMT2A (0.55) KMT2ANPC1RAB9A
SCHEMBL30923385 0.75 KMT2A (0.44) KMT2AGAANPC1RAB9A
SCHEMBL14357424 0.73 HTR1A (0.35) KMT2AGAANPC1RAB9A
SCHEMBL22230513 0.72 GAA (0.40) GAANPC1RAB9A
SCHEMBL12311449 0.72 GAA (0.40) KMT2AGAANPC1RAB9A
SCHEMBL14447305 0.71 GAA (0.39) GAANPC1RAB9A
SCHEMBL13621180 0.70 KDM4E (0.41) KMT2AGAANPC1RAB9A

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-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed