SCHEMBL15134688

SCHEMBL15134688

O=[N+]([O-])C1CCC(N2CCC(N3CCNCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
ADRB1 P08588 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30

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
SCHEMBL2554458 0.80 HPGD (0.52) KMT2AHPGDSMN1; SMN2HTR6L3MBTL3
SCHEMBL63548 0.76
SCHEMBL894571 0.76
SCHEMBL12190269 0.74
Hydrochloric Acid SCHEMBL1950482 0.73 HPGD (0.59) KMT2AHPGDSMN1; SMN2HTR6L3MBTL3
Ammonia Solution, Strong SCHEMBL19410292 0.73 HPGD (0.53) KMT2AHPGDSMN1; SMN2HTR6L3MBTL3
Hydrochloric Acid SCHEMBL64625 0.73 HPGD (0.59) KMT2AHPGDSMN1; SMN2HTR6L3MBTL3
SCHEMBL1557587 0.71
SCHEMBL22804831 0.71 MEN1 (0.32) KMT2AMEN1
SCHEMBL13801432 0.70 HTR6 (0.59) KMT2AHPGDSMN1; SMN2HTR6OPRM1

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-2013108754-A1 PYRAZINE CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2013-07-25 WO disclosed