SCHEMBL12181600

SCHEMBL12181600

CCC(C)CCOC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCCC(C)C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ ALDH1A1 P00352 2/20 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
SCHEMBL13510585 0.92 MAPT (0.36) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL13510862 0.86 SMN1; SMN2 (0.35) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL12181288 0.85 CHRM1 (0.33) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL10046573 0.83 SMN1; SMN2 (0.36) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL420320 0.81 CHRM1 (0.46) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL13510873 0.81 SMN1; SMN2 (0.34) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL13160756 0.80 SMN1; SMN2 (0.41) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL10036917 0.80 HRH1 (0.45) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL14286145 0.79 HRH3 (0.33) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A
SCHEMBL10036916 0.79 CHRM1 (0.44) SMN1; SMN2CHRM1CHRM4CHRM2HTR1A

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-2011140136-A2 DRUG DELIVERY COATING AND DEVICES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-11-10 — — WO disclosed
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