SCHEMBL9844238

SCHEMBL9844238

CC(C)(C)OC(=O)CCN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.67
DRD3 P35462 5/20 0.67
HRH4 Q9H3N8 4/20 0.67
LMNA P02545 3/20 0.67
CHRM2 P08172 3/20 0.67
ADRA2A P08913 3/20 0.67
CHRM1 P11229 3/20 0.67
ADRA2B P18089 3/20 0.67
DRD1 P21728 3/20 0.67
HTR2A P28223 3/20 0.67
HTR2C P28335 3/20 0.67
HTR3A P46098 3/20 0.67
KCNH2 Q12809 3/20 0.67
CHRM4 P08173 2/20 0.67
CHRM5 P08912 2/20 0.67
CHRM3 P20309 2/20 0.67
HTR6 P50406 2/20 0.67
ADRA2C P18825 2/20 0.67
CNR1 P21554 2/20 0.67
ADRA1D P25100 2/20 0.67

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
SCHEMBL9844215 0.89 HRH1 (0.67) HRH1DRD3HRH4LMNACHRM2
SCHEMBL9844340 0.86 DRD3 (0.72) HRH1DRD3HRH4LMNACHRM2
Hydrochloric Acid SCHEMBL9844514 0.85 DRD3 (0.71) HRH1DRD3HRH4LMNACHRM2
SCHEMBL9844519 0.84 DRD3 (0.72) HRH1DRD3HRH4LMNACHRM2
SCHEMBL9844280 0.83 DRD3 (0.68) HRH1DRD3HRH4LMNACHRM2
Hydrochloric Acid SCHEMBL9844266 0.83 DRD3 (0.70) HRH1DRD3HRH4LMNACHRM2
Hydrochloric Acid SCHEMBL9791328 0.83 DRD3 (0.67) HRH1DRD3HRH4LMNACHRM2
SCHEMBL9844413 0.83 DRD3 (0.69) HRH1DRD3HRH4LMNACHRM2
SCHEMBL9844348 0.82 DRD3 (0.75) HRH1DRD3HRH4LMNACHRM2
SCHEMBL9844494 0.82 DRD3 (0.66) HRH1DRD3HRH4LMNACHRM2

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
EP-0451772-A1 Piperidine compounds, method for preparation thereof, and a pharamceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 EP disclosed