SCHEMBL29329396

SCHEMBL29329396

O=c1c(Cl)c(N2CCc3c(ncnc3Sc3ccc(F)cc3F)C2)cnn1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 7/20 0.38
TRPC4 Q9UBN4 2/20 0.38
MAPK13 O15264 9/20 0.34
MAPK12 P53778 9/20 0.34
MAPK11 Q15759 9/20 0.34
MAPK14 Q16539 9/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ATR Q13535 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
SCHEMBL29330277 0.94 TRPC5 (0.38) TRPC5TRPC4CYP4F2CYP4A11
SCHEMBL29329165 0.91 TRPC5 (0.47) TRPC5TRPC4
SCHEMBL29329548 0.91 TRPC5 (0.40) TRPC5TRPC4ATR
SCHEMBL29090279 0.83 TRPC5 (0.37) TRPC5TRPC4
SCHEMBL29329345 0.79 TRPC5 (0.51) TRPC5TRPC4
SCHEMBL29330124 0.79 TRPC5 (0.42) TRPC5TRPC4CYP4F2CYP4A11
SCHEMBL29090320 0.79 TRPC5 (0.46) TRPC5TRPC4
SCHEMBL21807320 0.79 TRPC5 (0.44) TRPC5TRPC4
SCHEMBL21807248 0.78 TRPC5 (0.65) TRPC5TRPC4
SCHEMBL29090303 0.78 TRPC5 (0.50) TRPC5TRPC4

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