SCHEMBL31375641

SCHEMBL31375641

O=C1NC=CC(c2cccc(Cl)c2)(C2CCCC2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
BACE1 P56817 3/20 0.37
HSD11B1 P28845 1/20 0.36
ADAMTS5 Q9UNA0 3/20 0.36
MMP2 P08253 2/20 0.36
ADAM17 P78536 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL26649124 0.69 CHRM2 (0.41) CHRM2CHRM3BACE1ADAMTS5MMP2
SCHEMBL30747360 0.69 CHRM2 (0.41) CHRM2CHRM3BACE1ADAMTS5MMP2
SCHEMBL4599454 0.66 BACE1 (0.47) CHRM2CHRM3BACE1ADAMTS5MMP2
SCHEMBL16409436 0.64 SLC6A3 (0.43) CHRM2CHRM3BACE1HSD11B1SLC6A4
SCHEMBL8265409 0.62 BACE1 (0.47) BACE1
SCHEMBL4596366 0.60 CHRM2 (0.37) CHRM2CHRM3BACE1SLC6A4SLC6A3
SCHEMBL4596721 0.60 CHRM2 (0.37) CHRM2CHRM3BACE1SLC6A4SLC6A3
SCHEMBL16108316 0.60 CHRM3 (0.40) CHRM2CHRM3BACE1RAB9ADPP4
SCHEMBL31098644 0.60 SLC6A3 (0.39) CHRM2CHRM3SLC6A4SLC6A3DPP4
SCHEMBL31098700 0.60 SLC6A3 (0.39) CHRM2CHRM3SLC6A4SLC6A3DPP4

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-119486992-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2025-02-18 CN disclosed