SCHEMBL29068614

SCHEMBL29068614

O=C(OC1CCCCCNCC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRM3 P20309 1/20 0.48
STS P08842 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
MMP1 P03956 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL1912949 0.91 CHRNA7 (0.61) CHRNA7MEN1KMT2ACHRM3MAPT
Hydrochloric Acid SCHEMBL9312509 0.89 MEN1 (0.62) CHRNA7MEN1KMT2ACHRM3MAPT
SCHEMBL60478 0.87 MEN1 (0.63) CHRNA7MEN1KMT2ASTSSMN1; SMN2
SCHEMBL11592049 0.87 MEN1 (0.63) CHRNA7MEN1KMT2ASTSSMN1; SMN2
SCHEMBL14720174 0.87 MEN1 (0.63) CHRNA7MEN1KMT2ASTSSMN1; SMN2
SCHEMBL31139240 0.87 MEN1 (0.63) CHRNA7MEN1KMT2ASTSSMN1; SMN2
SCHEMBL27771638 0.87 CHRNA7 (0.54) CHRNA7MEN1KMT2ACHRM3STS
Ammonia Solution, Strong SCHEMBL597060 0.86 MEN1 (0.61) CHRNA7MEN1KMT2ASTSSMN1; SMN2
SCHEMBL1926317 0.86 MEN1 (0.65) CHRNA7MEN1KMT2ACHRM3STS
Methylene Chloride SCHEMBL29003840 0.85 CHRNA7 (0.55) CHRNA7MEN1KMT2ACHRM3MAPT

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
CN-116745292-A Substituted pyridotriazine compounds and uses thereof 吉利德科学公司 2023-09-12 CN disclosed