SCHEMBL23373554

SCHEMBL23373554

C=C(C)CC1CCC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
CD274 Q9NZQ7 8/20 0.32
PDCD1LG2 Q9BQ51 6/20 0.32
KCNA5 P22460 1/20 0.31
IRAK4 Q9NWZ3 6/20 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
SCHEMBL10709560 0.82 ITGB1 (0.39) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL12027194 0.79 IRAK4 (0.32) MEN1KMT2AITGB3ITGB2ITGB1
SCHEMBL18289454 0.78 ITGB1 (0.42) MEN1GAAKMT2AITGB3ITGB2
SCHEMBL2558286 0.76 ITGB1 (0.61) MEN1GAAMAPTKMT2AITGB3
SCHEMBL9621834 0.76 ITGB1 (0.61) MEN1GAAMAPTKMT2AITGB3
SCHEMBL18705948 0.76 ITGB1 (0.61) MEN1GAAMAPTKMT2AITGB3
Methacrylic Acid SCHEMBL11888730 0.75 ITGB1 (0.38) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL10689544 0.74 ITGB1 (0.39) MEN1KMT2AITGB3ITGB2ITGB1
SCHEMBL21565414 0.74 GAA (0.41) GAAITGB3ITGB2ITGB1ITGAV
SCHEMBL22259659 0.74 ITGB1 (0.40) MEN1KMT2AITGB3ITGB2ITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2021097116-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-05-20 WO disclosed