SCHEMBL28545335

SCHEMBL28545335

CN1CCC(C2CCC(OC(N)=O)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
SCN1A P35498 4/20 0.41
SCN2A Q99250 4/20 0.41
SCN3A Q9NY46 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM3 P20309 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2126340 0.88 SCN1A (0.50) ATMSCN1ASCN2ASCN3AKMT2A
SCHEMBL21816700 0.79 L3MBTL3 (0.43) ATMSCN1ASCN2ASCN3AKMT2A
SCHEMBL1936279 0.79 L3MBTL3 (0.40) ATMSCN1ASCN2ASCN3AKMT2A
SCHEMBL23931262 0.77 CHRM4 (0.51) ATMSCN1ASCN2ASCN3AKMT2A
SCHEMBL4201270 0.77 CHRM4 (0.51) ATMSCN1ASCN2ASCN3AKMT2A
SCHEMBL27038904 0.77 CHRM4 (0.51) ATMSCN1ASCN2ASCN3AKMT2A
SCHEMBL425737 0.77
Water SCHEMBL8681204 0.75
SCHEMBL28439266 0.75
Hydrochloric Acid SCHEMBL11162708 0.75

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-108707139-B Aminopyrimidine compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2021-04-06 CN disclosed