SCHEMBL11079499

SCHEMBL11079499

CCN(CC)CCCN(c1ncnc(N(CCN(c2ncnc(N(CCCN(CC)CC)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
GHSR Q92847 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL11086991 0.91 CHRM1 (0.33) CHRM1DRD2ADRA2CSLC6A2HTR2A
SCHEMBL11081165 0.88 CHRM1 (0.31) CHRM1DRD2ADRA2CSLC6A2HTR2A
SCHEMBL11076632 0.88 CHRM1 (0.32) CHRM1DRD2ADRA2CSLC6A2HTR2A
SCHEMBL11084336 0.87 KCNH2 (0.32) KCNH2
SCHEMBL28859104 0.87 HTT (0.31) HTT
SCHEMBL11426404 0.84 CRHR1 (0.33) HTT
SCHEMBL13285568 0.81 KCNH2 (0.33) KCNH2
SCHEMBL10912575 0.81 CHRM1 (0.34) CHRM1DRD2ADRA2CSLC6A2HTR2A
SCHEMBL10938250 0.81 CHRM1 (0.32) CHRM1DRD2ADRA2CSLC6A2HTR2A
SCHEMBL28942895 0.80

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-4433145-A HEAT AND LIGHT STABILIZERS FOR POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-21 US disclosed