SCHEMBL9036862

SCHEMBL9036862

COc1ccccc1N1CCN(C/C=C/CNC(=O)c2nsc3ccccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.66
DRD1 P21728 2/20 0.66
DRD2 P14416 13/20 0.59
HTR1A P08908 2/20 0.59
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
DRD4 P21917 1/20 0.54

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
SCHEMBL9466203 1.00 DRD3 (0.66) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL9036875 1.00 DRD3 (0.66) DRD3DRD1DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL9035809 0.99 DRD3 (0.65) DRD3DRD1DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL9035817 0.99 DRD3 (0.65) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL9034796 0.85 HTR1A (0.65) DRD2HTR1AHTR2ADRD4
Hydrochloric Acid SCHEMBL9036734 0.84 HTR1A (0.64) DRD2HTR1AHTR2ADRD4
SCHEMBL9467179 0.84 DRD2 (0.69) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL9466381 0.84 DRD2 (0.52) DRD3DRD2HTR1AHTR2ADRD4
Hydrochloric Acid SCHEMBL9035124 0.83 DRD2 (0.68) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL9474121 0.83 DRD2 (0.73) DRD3DRD1DRD2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511610-B1 Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments HOECHST ROUSSEL PHARMA (US) 1996-09-11 EP disclosed
US-5225412-A Antipsychotic HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-06 US disclosed
EP-0511610-A1 Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-04 EP disclosed
US-5143923-A Psychological disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-09-01 US disclosed