SCHEMBL29951678

SCHEMBL29951678

Cc1cc(C=O)nc(C2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.38
LDHA P00338 1/20 0.33
CHRM3 P20309 10/20 0.33
PDE4A P27815 8/20 0.33
PDE4B Q07343 8/20 0.33
PDE4C Q08493 8/20 0.33
PDE4D Q08499 8/20 0.33
CBLB Q13191 4/20 0.31
CHRM4 P08173 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL13033012 0.80 PDE10A (0.50) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL29841731 0.76 CYP1A2 (0.42)
SCHEMBL27271991 0.76 PDE4D (0.36) PDE4D
SCHEMBL18069346 0.76 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL24500132 0.72 PDE10A (0.43) PDE10ALDHACHRM3PDE4APDE4B
SCHEMBL21211777 0.72 PDE10A (0.43) PDE10ALDHACHRM3PDE4APDE4B
SCHEMBL29952455 0.71 ALDH1A1 (0.36) PDE4A
SCHEMBL28979288 0.71 HTT (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3089372 0.71 ALDH1A1 (0.36) PDE4A
SCHEMBL23219923 0.71 PDE10A (0.42) PDE10ALDHACHRM3PDE4APDE4B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed