SCHEMBL24740776

SCHEMBL24740776

Cc1cc(C2CCC2)c(C)nn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.44
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
PDE10A Q9Y233 1/20 0.30
CYP11B2 P19099 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL24574591 0.91 PSMB5 (0.35) PSMB5
SCHEMBL3966598 0.76 TDO2 (0.39) PSMB5JAK2JAK1TYK2JAK3
SCHEMBL38651988 0.71
SCHEMBL3965918 0.71 LRRK2 (0.33) PDE10A
SCHEMBL21745681 0.71 PSMB5 (0.33) PSMB5PDE10A
SCHEMBL24574595 0.71 PDE10A (0.38) PDE10A
SCHEMBL24740774 0.68 HCRTR1 (0.31)
SCHEMBL25859784 0.68 CYP11B1 (0.33) PSMB5CYP11B2
SCHEMBL25778898 0.68 NOS3 (0.31)
SCHEMBL25790850 0.68 OPRK1 (0.31)

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-2022212819-A1 INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2022-10-06 WO disclosed