SCHEMBL9377355

SCHEMBL9377355

O=C1c2ccccc2C(=O)N1CCCCN1CCC(c2nsc3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.65
DRD2 P14416 6/20 0.65
HTR2A P28223 5/20 0.65
HTR7 P34969 5/20 0.65
HTR6 P50406 4/20 0.65
DRD3 P35462 3/20 0.53
LMNA P02545 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
DRD4 P21917 1/20 0.51
GRM2 Q14416 1/20 0.51

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 SCHEMBL9381340 0.98 HTR1A (0.62) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9376162 0.84 DRD2 (0.58) HTR1ADRD2HTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL9380479 0.83 DRD2 (0.58) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL9377459 0.82 DRD2 (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9376457 0.82 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL1545312 0.81 HTR1D (0.50) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL1545002 0.80 HTR1D (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL792775 0.80 HTR1A (0.98) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6707211 0.79 DRD2 (0.63) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL8474378 0.78 DRD2 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP claimed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO claimed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed