SCHEMBL31344192

SCHEMBL31344192

FC(F)(F)c1ccc(C2=NCCc3occc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
KIF11 P52732 4/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CASP3 P42574 2/20 0.35
MAPKAPK2 P49137 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL18905576 0.85 HTR1D (0.39) NISCHKIF11NPSR1HSP90AA1NPC1
SCHEMBL18903799 0.80 MAPK10 (0.40) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3056563 0.73 NOS3 (0.45) CHRM1NISCHKIF11NPSR1
SCHEMBL31344191 0.72 NOS2 (0.46) CHRM1NISCHKIF11CYP11B1CYP11B2
SCHEMBL3962248 0.70 KIF11 (0.46) NISCHKIF11CYP11B1CYP11B2NPC1
SCHEMBL3961810 0.70 KIF11 (0.46) NISCHKIF11CYP11B1CYP11B2NPC1
SCHEMBL3073686 0.70 MAPK10 (0.51) NISCHCYP11B1CYP11B2
SCHEMBL3070384 0.70 NISCH (0.38) CHRM1CHRM5NISCHKIF11CYP11B1
SCHEMBL3066116 0.70 MAPK10 (0.48) CHRM5NISCH
SCHEMBL3056436 0.69 ENPP1 (0.37) CHRM1NISCHKIF11CYP11B1CYP11B2

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
CN-119306742-A Arylpiperidine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2025-01-14 CN disclosed