SCHEMBL29329475

SCHEMBL29329475

Clc1c2c(nc3ccnn13)C1(CCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
HTR2C P28335 4/20 0.33
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33

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
SCHEMBL29329570 0.97 PDE10A (0.37) PDE10AHTR2CHTR2AHTR2B
SCHEMBL29329456 0.91 PDE10A (0.37) PDE10AHTR2CHTR2AHTR2B
SCHEMBL29329467 0.91 PDE10A (0.37) PDE10AHTR2CHTR2AHTR2B
SCHEMBL29329754 0.91 PDE10A (0.39) PDE10AHTR2CHTR2AHTR2B
SCHEMBL29329459 0.90 PDE10A (0.36) PDE10AHTR2CHTR2AHTR2B
SCHEMBL29329574 0.75 HTR2C (0.36) PDE10AHTR2CHTR2AHTR2B
SCHEMBL29329838 0.74
SCHEMBL4955234 0.74 HTR2C (0.46) PDE10AHTR2CHTR2AHTR2B
SCHEMBL4956864 0.74 HTR2C (0.46) PDE10AHTR2CHTR2AHTR2B
SCHEMBL29329573 0.73 PDE10A (0.34) PDE10AHTR2CHTR2AHTR2B

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
WO-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO disclosed