SCHEMBL9596157

SCHEMBL9596157

O=C1c2ccccc2CCN1CCCCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.71
DRD2 P14416 8/20 0.71
HTR2A P28223 8/20 0.71
HTR7 P34969 1/20 0.69
HTR6 P50406 1/20 0.69

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 SCHEMBL9594521 0.99 HTR1A (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9595844 0.94 DRD2 (0.67) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9377059 0.93 DRD2 (0.66) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9601759 0.91 HTR1A (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL30649298 0.91 HTR1A (0.70) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9382359 0.90 HTR1A (0.69) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9595406 0.89 HTR1A (0.71) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9379578 0.89 HTR1A (0.71) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9376327 0.88 HTR1A (0.66) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL8831786 0.85 HTR1A (0.74) HTR1ADRD2HTR2AHTR7HTR6

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