SCHEMBL10046573

SCHEMBL10046573

CCC(C)COC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCC(C)C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACHE P22303 3/20 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
SCHEMBL14286145 0.86 HRH3 (0.33) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL12181600 0.83 SMN1; SMN2 (0.35) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL13510585 0.82 MAPT (0.36) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL10015644 0.80 CHRM1 (0.45) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL420320 0.78 CHRM1 (0.46) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL10036917 0.77 HRH1 (0.45) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL13160756 0.77 SMN1; SMN2 (0.41) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL12842581 0.76 SMN1; SMN2 (0.47) SMN1; SMN2HRH1ALDH1A1TSHRTP53
SCHEMBL10036916 0.76 CHRM1 (0.44) SMN1; SMN2CHRM1DRD2HRH1CHRM2
SCHEMBL12881383 0.75 TP53 (0.44) SMN1; SMN2CHRM1DRD2CHRM2CHRM4

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-8105652-B2 Methods of making decomposable thin films of polyelectrolytes and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-31 — — US disclosed
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