SCHEMBL16972741

SCHEMBL16972741

CCC(N1CCN(C)CCN(C)CC1)N1CCN(C)CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MC4R P32245 12/20 0.35
IDO1 P14902 1/20 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
SCHEMBL9695357 0.88
SCHEMBL16972740 0.79 CHRM2 (0.34) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL9927907 0.78 IDO1 (0.41) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL6740215 0.76 CHRNA7 (0.35)
SCHEMBL8280536 0.76 MC4R (0.39) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL23134687 0.76 MC4R (0.39) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL288088 0.74 FDPS (0.33) CYP2D6SLC6A3KCNH2
SCHEMBL2850218 0.74 CHRM2 (0.34) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL9114190 0.74 CHRM2 (0.34) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL11714077 0.74 CHRM2 (0.34) CHRM2CHRM4CHRM5ADRA2AADORA3

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-2015114352-A1 COMPOSITION CHEMSENTI LIMITED (GB) 2015-08-06 WO disclosed