SCHEMBL4598118

SCHEMBL4598118

COC(=O)C1=C(c2ccc(C(OC)C3CC3)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
ESR2 Q92731 1/20 0.38
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38

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
SCHEMBL4597034 0.91 ESR2 (0.39) NR1H2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1750511 0.82 ESR2 (0.53) NR1H2MAPTMAPK1CHRM2CHRM4
SCHEMBL951478 0.81 NR1H2 (0.47) NR1H2CHRM2CHRM4CHRM5CHRM1
SCHEMBL3197517 0.81 SLC6A3 (0.54) NR1H2HTTCHRM2CHRM4CHRM5
SCHEMBL6418231 0.81 CHRM5 (0.59) NR1H2MAPK1CHRM2CHRM4CHRM5
SCHEMBL9350724 0.79 GPR119 (0.47) NR1H2CHRM2CHRM4CHRM5CHRM1
SCHEMBL3205498 0.79 GPR119 (0.49) NR1H2ALDH1A1MAPTCHRM2CHRM4
SCHEMBL3194232 0.79 SLC6A3 (0.57) NR1H2ESR2SLC6A2
SCHEMBL4598190 0.77 REN (0.35) GPR119
SCHEMBL4598116 0.77 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM5CHRM1

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
EP-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed