SCHEMBL30728008

SCHEMBL30728008

CN(C)CCOC(C(N)=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.58
CHRM1 P11229 5/20 0.58
CHRM2 P08172 4/20 0.58
ADRA2A P08913 3/20 0.58
SLC6A2 P23975 3/20 0.58
SLC6A4 P31645 3/20 0.58
OPRM1 P35372 3/20 0.58
DRD3 P35462 3/20 0.58
SLC6A3 Q01959 3/20 0.58
CYP2D6 P10635 3/20 0.58
CHRM3 P20309 3/20 0.58
HTR2A P28223 3/20 0.58
HRH1 P35367 3/20 0.58
CHRM4 P08173 2/20 0.58
CHRM5 P08912 2/20 0.58
ADRA2B P18089 2/20 0.58
HRH2 P25021 2/20 0.58
HTR2C P28335 2/20 0.58
ADRA1A P35348 2/20 0.58
HTR2B P41595 2/20 0.58

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
SCHEMBL8833037 0.87 LMNA (0.62) LMNACHRM1CHRM2ADRA2ASLC6A2
SCHEMBL2552243 0.87 LMNA (0.62) LMNACHRM1CHRM2ADRA2ASLC6A2
SCHEMBL20538944 0.82 LMNA (0.43) LMNACHRM1CHRM2CYP2D6CHRM3
SCHEMBL6624926 0.81 GLS (0.50) LMNACYP2D6ADRA1ACYP1A2TSHR
SCHEMBL21644503 0.80 GLS (0.48) LMNASLC6A2SLC6A4DRD3SLC6A3
SCHEMBL8938105 0.80 SMN1; SMN2 (0.43) LMNADRD3SLC6A3CYP2D6HRH1
SCHEMBL17536560 0.78 SMN1; SMN2 (0.44) CYP2D6CYP1A2SMN1; SMN2CYP3A4NPSR1
SCHEMBL10698580 0.78 LMNA (0.48) LMNACHRM2ADRA2ASLC6A3HTR2B
Diphenhydramine SCHEMBL25268546 0.78 SLC6A2 (0.83) LMNACHRM1CHRM2ADRA2ASLC6A2
SCHEMBL7556093 0.78 GLS (0.43) LMNADRD3SLC6A3CYP2D6CYP1A2

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-109988124-B Inhibitor of renal glutaminase allosteric site containing oxygen group element diazole or tetrazole structure 杭州健昵福生物科技有限公司 2024-01-09 CN disclosed