SCHEMBL30206182

SCHEMBL30206182

CN(C)CCON(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL30206357 0.78 ALDH1A1 (0.45) CYP2D6TSHRSLC6A2SLC6A4HTT
SCHEMBL2640938 0.74 ALDH1A1 (0.42) LMNACYP1A2CHRM2CHRM4CHRM5
SCHEMBL4753616 0.69 KDM4E (0.44) CYP1A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL15399051 0.68 KDM4E (0.41) LMNACHRM4TSHRCHRM3HTT
SCHEMBL1405661 0.67 LTA4H (0.85) LMNACYP1A2CHRM2CHRM4CHRM5
SCHEMBL17208188 0.66
SCHEMBL4126571 0.66 TAAR1 (0.50) TSHRHTR2AHRH1HTTSMN1; SMN2
SCHEMBL11501576 0.66 TAAR1 (0.50) LMNACHRM2ADRA2ATSHRADRA2B
Bromide SCHEMBL1174583 0.65 LTA4H (0.81) LMNACYP1A2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL10682691 0.65 LTA4H (0.81) CYP1A2CHRM2CHRM4CHRM5ADRA2A

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
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed