SCHEMBL29249015

SCHEMBL29249015

COC[C@@H](C#N)OC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL22090254 1.00 LMNA (0.34) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28776937 0.79 MAPK1 (0.36) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28776939 0.79 MAPK1 (0.36) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL5530050 0.79
SCHEMBL4056942 0.79
SCHEMBL29249038 0.79
SCHEMBL22090181 0.76 LMNA (0.34) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29032630 0.74 LMNA (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29032631 0.74 LMNA (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL12471432 0.72 LMNA (0.40) LMNACHRM2CHRM4CHRM5CHRM1

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-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed