SCHEMBL11758967

SCHEMBL11758967

CCN(CC)CC/N=C1/c2ccccc2CCc2c(C)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SLC22A1 O15245 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
SCHEMBL11758970 1.00 SLC6A2 (0.33) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11757812 0.93 POLB (0.35) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11757819 0.93 POLB (0.35) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11757138 0.88 CES1 (0.40) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11760838 0.87 HRH1 (0.43) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11760835 0.87 HRH1 (0.43) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11752852 0.86 HTR1A (0.37) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11752846 0.86 HTR1A (0.37) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11754790 0.82 HRH1 (0.41) SLC6A2DRD2CHRM1PARP1CHRM2
SCHEMBL11754786 0.82 HRH1 (0.41) SLC6A2DRD2CHRM1PARP1CHRM2

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-4003915-A ANTICONVULSANTS, PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1977-01-18 — — US disclosed
Send feedback