SCHEMBL64061

SCHEMBL64061

CC(C)(C)[Si](C)(C)OCC1C(C(=O)O)=C(c2cccc(-c3ccccc3)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
PARP1 P09874 1/20 0.36
GHSR Q92847 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DHFR P00374 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL78622 0.92 SMN1; SMN2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10289009 0.85 PARP1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL65084 0.82 REN (0.37)
SCHEMBL64196 0.82 GHSR (0.36) CHRM5CHRM1PARP1GHSR
SCHEMBL65202 0.82 MGLL (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL66854 0.81 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL64034 0.80 CHRM5 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL78635 0.80 PDK1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL34466974 0.78 PREP (0.42) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL30781571 0.78 PREP (0.42) PDK1PDK2PDK3PDK4PSEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed