SCHEMBL9701322

SCHEMBL9701322

CN1CCN(CC2CN(N)c3cccc(Cl)c3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
HRH4 Q9H3N8 1/20 0.43
RORC P51449 1/20 0.40
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
HTR2A P28223 4/20 0.39
HTR2C P28335 3/20 0.36
HRH1 P35367 2/20 0.36
DRD4 P21917 3/20 0.35
DRD5 P21918 1/20 0.35
HTR1A P08908 1/20 0.34

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
SCHEMBL9701310 0.81 HRH3 (0.50) HRH3HRH4DRD2HTR2AHTR2C
SCHEMBL9728710 0.76 DRD2 (0.40) HRH3HRH4DRD2DRD3HTR2A
SCHEMBL9701487 0.68 ADRA2A (0.56) HRH3DRD2HTR1A
SCHEMBL9701550 0.68 ADRA2A (0.60) HRH3DRD2HTR2AHTR2CHRH1
SCHEMBL9701405 0.67 ADRA2A (0.62) HRH3DRD2HTR2AHTR2CHRH1
SCHEMBL9701449 0.67 DRD2 (0.41) DRD2DRD3HTR2AHTR2CDRD4
SCHEMBL9700324 0.66 ADRA2A (0.47) HRH3DRD2HTR2AHTR2CHRH1
SCHEMBL9700145 0.65 ADRA2A (0.46) HRH3DRD2HTR1A
SCHEMBL9700515 0.65 HRH3 (0.47) HRH3HRH4DRD2HTR2AHTR1A
SCHEMBL9700376 0.64 GAA (0.47) HRH3HRH4DRD2DRD3HTR2A

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-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed