SCHEMBL9596187

SCHEMBL9596187

O=C1c2ccccc2C(=O)N1CCOCCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.80
DRD2 P14416 3/20 0.80
HTR2A P28223 3/20 0.80
HTR7 P34969 3/20 0.80
HTR6 P50406 3/20 0.80
LMNA P02545 1/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60

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 SCHEMBL9377707 0.99 HTR1A (0.78) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL792775 0.90 HTR1A (0.98) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2214000 0.90 HTR1A (0.93) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL15064501 0.90 HTR1A (0.85) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9378095 0.85 HTR1A (0.61) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL10518910 0.84 HTR1A (0.72) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9377388 0.83 HTR2A (0.58) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9382112 0.81 HTR1A (0.79) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9378503 0.81 HTR1A (0.79) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9604507 0.81 HTR1A (0.79) 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 1 patent. 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 disclosed