SCHEMBL9760169

SCHEMBL9760169

CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2n[nH]c3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
DRD4 P21917 1/20 0.52
PARP1 P09874 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL8306648 0.88 DRD4 (0.54) HTR2ADRD4PARP1
SCHEMBL8307680 0.87 HTR2A (0.65) HTR2ADRD4DRD2HTR7HTR6
SCHEMBL7993630 0.84 HTR1A (0.58) HTR2ADRD2DRD3HTR1AHTR7
Hydrochloric Acid SCHEMBL7979099 0.83 HTR1A (0.57) HTR2ADRD2DRD3HTR1AHTR7
SCHEMBL8303726 0.80 HTR2A (0.38) HTR2ADRD4
SCHEMBL8302001 0.80 PARP1 (0.48) PARP1DRD2DRD3
SCHEMBL8446873 0.77 DRD2 (0.45) HTR2APARP1DRD2DRD3HTR1A
SCHEMBL8302484 0.77 PARP1 (0.47) HTR2APARP1DRD2DRD3HTR1A
SCHEMBL9759749 0.76 PARP1 (0.46) HTR2APARP1DRD2DRD3HTR1A
SCHEMBL7979523 0.76 HTR2A (0.56) HTR2ADRD4DRD2HTR7HTR6

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-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US claimed