SCHEMBL29945820

SCHEMBL29945820

CC(C)(C)OC(=O)N1CCC(n2ccc(SCc3ccc(Cl)cc3F)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
USP30 Q70CQ3 1/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40

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
SCHEMBL29945889 0.87 GPR119 (0.47) MAPTSMN1; SMN2DPP4GPR119
SCHEMBL29945877 0.83 GPR119 (0.43) MAPTNPSR1DPP4CYP3A4CYP3A5
SCHEMBL29946068 0.81 MAPT (0.50) MAPTSMN1; SMN2NPSR1MEN1LMNA
SCHEMBL29945844 0.79 INPPL1 (0.37) SMN1; SMN2KMT2A
SCHEMBL29946028 0.78 CYP3A4 (0.45) DPP4CYP3A4CYP3A5USP30CACNB4
SCHEMBL15537962 0.76 CCR3 (0.54) MEN1KMT2ADPP4CYP3A4CYP3A5
SCHEMBL25113645 0.75 DPP4 (0.42) MAPTNPSR1DPP4CYP3A4CYP3A5
SCHEMBL27459322 0.74 GPR119 (0.47) MAPTMEN1HTTKMT2AALDH1A1
SCHEMBL29946041 0.74 GPR119 (0.45) MAPTSMN1; SMN2LMNADPP4GPR119
SCHEMBL29945924 0.73 TRPV3 (0.44) MAPTSMN1; SMN2NPSR1MEN1LMNA

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-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed