SCHEMBL14286145

SCHEMBL14286145

CCC(C)COC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCCC(C)(CC)CC)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.33
▸ CHRM1 P11229 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAOB P27338 1/20 0.30

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
SCHEMBL12181288 0.87 CHRM1 (0.33) HRH3CHRM1CHRM2CHRM4HTR1A
SCHEMBL12650304 0.87 SMN1; SMN2 (0.36) HRH3CHRM1CHRM2CHRM4HTR1A
SCHEMBL10046573 0.86 SMN1; SMN2 (0.36) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL19036251 0.79 SMN1; SMN2 (0.40) HRH3CHRM1CHRM2CHRM4HTR1A
SCHEMBL12181600 0.79 SMN1; SMN2 (0.35) HRH3CHRM1CHRM2CHRM4HTR1A
SCHEMBL13510585 0.78 MAPT (0.36) HRH3CHRM1CHRM2CHRM4HTR1A
SCHEMBL13510862 0.77 SMN1; SMN2 (0.35) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL420320 0.77 CHRM1 (0.46) HRH3CHRM1CHRM2CHRM4HTR1A
SCHEMBL18717218 0.77 HRH3 (0.36) HRH3CHRM1CHRM2CHRM4HTR1A
SCHEMBL19036161 0.77 HRH1 (0.41) HRH3CHRM1CHRM2CHRM4HTR1A

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-1903068-A1 Biodegradable poly(beta-amino esters) and uses thereof Massachusetts Institute of Technology (MIT) (US) 2008-03-26 — — EP disclosed
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