SCHEMBL29329978

SCHEMBL29329978

COc1ccc(CNc2nc3c(c(Sc4ccc(F)cc4C(F)(F)F)n2)CCN(c2cnn(C4CCCCO4)c(=O)c2Cl)C3)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.37
TRPC5 Q9UL62 7/20 0.37
TRPC4 Q9UBN4 2/20 0.36
PDE4B Q07343 1/20 0.32
MAP4K1 Q92918 1/20 0.31
GRM2 Q14416 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 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
SCHEMBL29330069 0.82 TRPC5 (0.39) TRPC5TRPC4
SCHEMBL22412918 0.82 TRPC5 (0.47) TRPC5TRPC4USP2TSHR
SCHEMBL29329165 0.80 TRPC5 (0.47) TRPC5TRPC4
SCHEMBL29329548 0.77 TRPC5 (0.40) TRPC5TRPC4
SCHEMBL21807318 0.77 TRPC5 (0.38) PDE9ATRPC5TRPC4CYP3A4TSHR
SCHEMBL21807393 0.76 TRPC5 (0.52) TRPC5TRPC4
SCHEMBL29329977 0.75 P2RX3 (0.45) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL29090279 0.73 TRPC5 (0.37) TRPC5TRPC4
SCHEMBL21807174 0.73 TRPC5 (0.52) TRPC5TRPC4
SCHEMBL21807248 0.73 TRPC5 (0.65) 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