SCHEMBL28731564

SCHEMBL28731564

CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)CC1CCC(N2Cc3cc([N+](=O)[O-])c(N(C)C)cc3C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.37
TP53 P04637 1/20 0.34
LIMK2 P53671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1D1 P20393 1/20 0.34
DRD2 P14416 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
SCHEMBL28731550 0.83 ITGB3 (0.34) SMN1; SMN2
SCHEMBL28731548 0.83 ITGB3 (0.34) SMN1; SMN2
SCHEMBL24779343 0.78 TP53 (0.42) GPR119TP53
SCHEMBL30291118 0.78 TP53 (0.42) GPR119TP53
SCHEMBL28731543 0.77 ALDH1A1 (0.36)
SCHEMBL28731544 0.77 ALDH1A1 (0.36)
SCHEMBL24779311 0.77 TP53 (0.43) GPR119TP53NR1D1
SCHEMBL24779105 0.76 TP53 (0.41) GPR119TP53
SCHEMBL30291011 0.76 TP53 (0.41) GPR119TP53
SCHEMBL1806667 0.75 TP53 (0.43) GPR119TP53

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-114437035-A Compound for inhibiting and degrading IRAK4, pharmaceutical composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-05-06 CN disclosed