SCHEMBL31484091

SCHEMBL31484091

[2H]C([2H])([2H])N1CCCc2cccnc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
HTR1A P08908 4/20 0.39
HTR2A P28223 4/20 0.39
HRH1 P35367 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTAFR P25105 2/20 0.37
ADAM17 P78536 1/20 0.36
CES1 P23141 2/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
PAX8 Q06710 1/20 0.36
RIN1 Q13671 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
SCHEMBL19699124 0.80 HTR1A (0.47) DRD2HTR1AHTR2AHRH1CHRM2
SCHEMBL25596768 0.73 HTR1A (0.45) DRD2HTR1AHTR2AHRH1CHRM2
SCHEMBL12573365 0.73 ADAM17 (0.48) DRD2HTR1AHTR2AHRH1CHRM2
SCHEMBL29431445 0.73 ADAM17 (0.48) DRD2HTR1AHTR2AHRH1CHRM2
SCHEMBL27252004 0.71 HTR1A (0.48) DRD2HTR1AHTR2AHRH1CHRM2
SCHEMBL31484024 0.71 VNN1 (0.33) ALDH1A1KDM4EKMT2A
SCHEMBL3399553 0.70 HTR1A (0.48) DRD2HTR1AHTR2AADAM17
SCHEMBL803066 0.70 HTR1A (0.40) DRD2HTR1AHTR2AHRH1CHRM2
SCHEMBL7711222 0.69 MTNR1A (0.44) DRD2HTR1AHTR2AHRH1CHRM2
SCHEMBL4912110 0.69 TSHR (0.43) DRD2HTR1AHTR2AHRH1CHRM2

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-115611925-B HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2025-04-08 CN disclosed