SCHEMBL9596303

SCHEMBL9596303

O=c1c2ccccc2ncn1CCCCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.68
DRD3 P35462 3/20 0.68
HTR1A P08908 8/20 0.67
HTR2A P28223 2/20 0.67
HTR7 P34969 6/20 0.67
DRD5 P21918 1/20 0.63
HTR6 P50406 1/20 0.61

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
Hydrochloric Acid SCHEMBL9595986 0.99 DRD2 (0.67) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL8419556 0.87 HTR2A (0.67) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL9376347 0.83 DRD2 (0.71) DRD2DRD3HTR1AHTR7DRD5
Hydrochloric Acid SCHEMBL9380070 0.82 DRD2 (0.69) DRD2DRD3HTR1AHTR7DRD5
Hydrochloric Acid SCHEMBL9383611 0.80 HTR2A (0.78) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL22048363 0.80 HTR1A (1.00) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL14761916 0.80 DRD2 (0.77) DRD2DRD3HTR1AHTR7DRD5
SCHEMBL6185115 0.78 HTR2A (0.65) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL8831407 0.78 HTR2A (0.64) DRD2HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9376254 0.78 HTR1A (0.65) DRD2DRD3HTR1AHTR2AHTR7

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
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO claimed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed