SCHEMBL5817066

SCHEMBL5817066

CCCCCCCCCCCCCCCCCCC(CCCC)[n+]1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
CHRM1 P11229 2/20 0.47
ACHE P22303 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47
PDE4A P27815 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5294176 1.00 CHRM2 (0.47) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5293295 1.00 CHRM2 (0.47) CHRM2ADRA2AADORA3CHRM1ACHE
Bromide SCHEMBL28057294 0.98 RAD52 (0.48) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5293031 0.98 CHRM2 (0.48) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5810876 0.98 CHRM2 (0.48) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5290487 0.98 CHRM2 (0.48) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5817346 0.98 CHRM2 (0.48) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL20942852 0.98 CHRM2 (0.43) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5304988 0.98 CHRM2 (0.48) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5297472 0.98 CHRM2 (0.48) CHRM2ADRA2AADORA3CHRM1ACHE

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-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed