SCHEMBL19699124

SCHEMBL19699124

CN1CCc2cccnc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.47
HTR2A P28223 13/20 0.47
DRD2 P14416 10/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRM5 P41594 2/20 0.41
PTAFR P25105 1/20 0.41
ADAM17 P78536 1/20 0.40
MTNR1A P48039 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL12573365 0.82 ADAM17 (0.48) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL29431445 0.82 ADAM17 (0.48) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL31484091 0.80 DRD2 (0.39) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL25596768 0.79 HTR1A (0.45) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL803066 0.79 HTR1A (0.40) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL3399553 0.79 HTR1A (0.48) HTR1AHTR2ADRD2ADAM17MTNR1A
SCHEMBL11947839 0.75 HTR1A (0.46) HTR1AHTR2ADRD2ADAM17
SCHEMBL256377 0.74 MTNR1A (0.50) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL27252004 0.74 HTR1A (0.48) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL17881248 0.73 CRBN (0.40) HTR1AHTR2ADRD2CHRM2CHRM1

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
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed