SCHEMBL8306973

SCHEMBL8306973

COC(=O)C1=CNC(C)NC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.42
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
THRB P10828 1/20 0.34
CHRM1 P11229 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BLM P54132 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
FUCA1 P04066 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
HSD17B10 Q99714 3/20 0.32

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
SCHEMBL17706798 0.68 CHRM3 (0.39) CHRM3KDM4EHPGDLMNACHRM2
SCHEMBL17706800 0.68 CHRM3 (0.39) CHRM3KDM4EHPGDLMNACHRM2
SCHEMBL6960679 0.67 CHRM3 (0.53) CHRM3KDM4EHPGDLMNACHRM2
SCHEMBL27944568 0.66
SCHEMBL17775379 0.66 CHRM3 (0.37) CHRM3KDM4EHPGDLMNACHRM2
Hydrochloric Acid SCHEMBL7082979 0.66 CHRM3 (0.51) CHRM3KDM4EHPGDLMNACHRM2
SCHEMBL20161452 0.65 FUCA1 (0.39) KDM4EHPGDLMNANPC1MAPK1
SCHEMBL8588994 0.65
SCHEMBL21891254 0.65 CHRM3 (0.46) CHRM3KDM4EHPGDLMNACHRM2
Hydrochloric Acid SCHEMBL8587102 0.64 CHRM3 (0.42) CHRM3KDM4EHPGDLMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630244-B1 MUSCARINIC AGONISTS UNIV TOLEDO (US) 1999-12-01 EP claimed
EP-0630244-A4 MUSCARINIC AGONISTS. UNIV TOLEDO (US) 1994-04-07 EP claimed
EP-0630244-A4 MUSCARINIC AGONISTS. UNIV TOLEDO (US) 1994-04-07 EP disclosed