SCHEMBL8655147

SCHEMBL8655147

COC(=O)CCCN1CCN(C2OC(=O)N(C)C2CCCCC2CCN(C(C)(C)C)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.32
CHRM2 P08172 2/20 0.32
ADRA2B P18089 2/20 0.32
HRH1 P35367 2/20 0.32
DRD2 P14416 2/20 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
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR4 Q13639 4/20 0.31
HRH2 P25021 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL8659147 0.91 SIGMAR1 (0.30) SIGMAR1
SCHEMBL8656704 0.90 GAA (0.33) CHRM1CHRM2ADRA2BHRH1DRD2
SCHEMBL8656677 0.90 CHRM1 (0.33) CHRM1CHRM2ADRA2BHRH1DRD2
SCHEMBL8656794 0.90 S1PR5 (0.34) CHRM1CHRM2ADRA2BHRH1DRD2
SCHEMBL8655554 0.87 GLA (0.30) CHRM1
SCHEMBL8658243 0.86 SMN1; SMN2 (0.34) CHRM1CHRM2ADRA2BHRH1DRD2
SCHEMBL8654724 0.86 GAA (0.35) CHRM1CHRM2SMN1; SMN2KDM4E
SCHEMBL8661418 0.85 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1
SCHEMBL8661852 0.85 SMN1; SMN2 (0.34) CHRM1CHRM2ADRA2BHRH1DRD2
SCHEMBL8659458 0.84 FPR3 (0.32) CHRM2ADRA2BHRH1SMN1; SMN2HTR4

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed