SCHEMBL91298

SCHEMBL91298

CCOC(=O)C1=C(c2cccc(-c3ccccc3)c2)CCN(C(=O)OCc2ccccc2)C1CCC(C)(C)[Si](C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.37
CHRM1 P11229 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PARP1 P09874 1/20 0.36
POLB P06746 1/20 0.35
FAAH O00519 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10289009 0.92 PARP1 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL78622 0.86 SMN1; SMN2 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL91270 0.82 PPARG (0.38) CHRM5CHRM1SMN1; SMN2ALDH1A1POLB
SCHEMBL64061 0.77 CHRM2 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL91259 0.77 HTR2C (0.33) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL91260 0.76 PPARA (0.35) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL66854 0.76 CHRM2 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL64034 0.75 CHRM5 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL10289284 0.75 PPARA (0.36) CHRM5CHRM1PARP1FAAHPPARA
SCHEMBL91346 0.73 PPARA (0.38) CHRM5CHRM1SMN1; SMN2ALDH1A1FAAH

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