SCHEMBL23936816

SCHEMBL23936816

O=C(CCN1CCNCC1)NI

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
SMYD3 Q9H7B4 1/20 0.40
POLB P06746 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
CXCR4 P61073 2/20 0.37
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL15032039 0.81 HSD17B10 (0.46) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL11033869 0.81 CHRM5 (0.47) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL15032038 0.78 MAPT (0.44) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL27517098 0.77 POLB (0.58) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL21214009 0.77 SMN1; SMN2 (0.66) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL17950903 0.77 SMYD3 (0.60) CHRM5CHRM3SIGMAR1SMYD3POLB
SCHEMBL7344790 0.75 GLA (0.55) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL905223 0.75 GLA (0.55) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL18205586 0.75 POLB (0.43) CHRM5CHRM3MAPTHSD17B10MEN1
SCHEMBL1316096 0.74 SIGMAR1 (0.69) CHRM5CHRM3SIGMAR1SMYD3SMN1; SMN2

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-2022006331-A2 PYRIDINE-1,5-DIONES EXHIBITNG MNK INHIBITION AND THEIR METHOD OF USE 4E THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed