SCHEMBL29329548

SCHEMBL29329548

COc1cc(F)ccc1Sc1ncnc2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 11/20 0.40
TRPC4 Q9UBN4 2/20 0.40
DRD1 P21728 1/20 0.32
MKNK1 Q9BUB5 4/20 0.32
ATR Q13535 1/20 0.32
LRRK2 Q5S007 2/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL29330277 0.91 TRPC5 (0.38) TRPC5TRPC4
SCHEMBL29329396 0.91 TRPC5 (0.38) TRPC5TRPC4ATR
SCHEMBL29329165 0.88 TRPC5 (0.47) TRPC5TRPC4
SCHEMBL29329345 0.81 TRPC5 (0.51) TRPC5TRPC4DRD1
SCHEMBL29090313 0.81 TRPC5 (0.49) TRPC5TRPC4DRD1
SCHEMBL29090279 0.80 TRPC5 (0.37) TRPC5TRPC4
SCHEMBL29090273 0.80 TRPC5 (0.59) TRPC5TRPC4DRD1
SCHEMBL29090303 0.80 TRPC5 (0.50) TRPC5TRPC4DRD1
SCHEMBL21807248 0.80 TRPC5 (0.65) TRPC5TRPC4DRD1
SCHEMBL29329752 0.80 TRPC5 (0.59) TRPC5TRPC4DRD1

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
EP-4400500-A1 HALOGEN-SUBSTITUTED PYRIDAZINONE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed