SCHEMBL25588902

SCHEMBL25588902

C=C1CCCN(C(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
BRD4 O60885 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
SCHEMBL509506 0.87 GRM5 (0.34) GRM5
SCHEMBL22733401 0.75
SCHEMBL8021550 0.73 PSEN1 (0.47)
SCHEMBL11023876 0.73 ACE (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29105088 0.73 SMN1; SMN2 (0.31) GRM5
SCHEMBL6923986 0.73
SCHEMBL105138 0.73
SCHEMBL14342236 0.72
SCHEMBL13848502 0.72 PIK3CD (0.32) PIK3CDLMNACHRM2CHRM4CHRM5
SCHEMBL16489788 0.72 LMNA (0.39) PIK3CDLMNACHRM2CHRM4CHRM5

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-2023078413-A1 FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 微境生物医药科技(上海)有限公司 2023-05-11 WO disclosed