SCHEMBL11855700

SCHEMBL11855700

CN1CCN(C2=Nc3ccccc3Cc3ccsc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.66
MAPK1 P28482 2/20 0.50
DRD2 P14416 6/20 0.46
DRD4 P21917 4/20 0.46
DRD1 P21728 4/20 0.44
DRD3 P35462 4/20 0.44
DRD5 P21918 3/20 0.44
HTR2A P28223 3/20 0.43
HRH1 P35367 3/20 0.43
LMNA P02545 2/20 0.43
CHRM2 P08172 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
CHRM1 P11229 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
CHRM3 P20309 2/20 0.43
HTR2C P28335 2/20 0.43
SLC6A4 P31645 2/20 0.43
ADRA1A P35348 2/20 0.43

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
SCHEMBL11877889 0.86 HRH4 (0.49) HRH4MAPK1DRD2DRD4DRD1
SCHEMBL11865045 0.82 HRH4 (0.50) HRH4MAPK1DRD2DRD4DRD1
SCHEMBL7406099 0.81 HRH4 (0.70) HRH4MAPK1DRD2DRD4DRD1
Perlapine SCHEMBL114768 0.80 HRH4 (1.00) HRH4MAPK1DRD2DRD4HTR2A
Perlapine SCHEMBL29397855 0.80 HRH4 (1.00) HRH4MAPK1DRD2DRD4HTR2A
SCHEMBL11535917 0.76 DRD2 (0.67) HRH4MAPK1DRD2DRD4DRD1
SCHEMBL11872463 0.73 HRH4 (0.38) HRH4DRD2DRD4DRD1DRD3
SCHEMBL7420397 0.73 NOS2 (0.49) HRH4DRD2DRD4DRD1DRD3
SCHEMBL12559393 0.72 HRH4 (0.62) HRH4MAPK1DRD2DRD4DRD1
SCHEMBL11566269 0.72 HRH4 (0.65) HRH4MAPK1DRD2DRD4DRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3959282-A ANTIPSYCHOLICS, SOPORIFICES SANDOZ LTD. (CH) 1976-05-25 US claimed
US-3959282-A ANTIPSYCHOLICS, SOPORIFICES SANDOZ LTD. (CH) 1976-05-25 US disclosed