SCHEMBL9809306

SCHEMBL9809306

CNC(=S)N1CCN(CCCSc2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.53
DRD3 P35462 10/20 0.53
HTR1A P08908 9/20 0.53
HTR2A P28223 9/20 0.53
DRD1 P21728 5/20 0.53
DRD5 P21918 5/20 0.53
SIGMAR1 Q99720 2/20 0.53
HTR7 P34969 4/20 0.50
HRH1 P35367 3/20 0.50
ADRA2C P18825 1/20 0.50
HTR2B P41595 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR2C P28335 1/20 0.49
TMEM97 Q5BJF2 1/20 0.45
GRM2 Q14416 1/20 0.44
CCR3 P51677 6/20 0.43

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
SCHEMBL9809300 0.85 DRD2 (0.53) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL9809305 0.81 USP2 (0.59) DRD2DRD3HTR1AHTR2ADRD1
Hydrochloric Acid SCHEMBL9809253 0.80 ALDH1A1 (0.58) DRD2DRD3HTR1AHTR2ADRD1
Hydrochloric Acid SCHEMBL10938367 0.79 DRD2 (0.50) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL9809303 0.78 MAPK1 (0.65) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL10507398 0.78 SIGMAR1 (0.55) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL9809264 0.77 MEN1 (0.65) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL9809302 0.77 HRH2 (0.47) DRD2HRH1
SCHEMBL10506915 0.77 TSHR (0.47) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL10939271 0.76 MAPT (0.49) DRD2

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
EP-0211928-B1 PIPERAZINECARBOXAMIDES HAVING A PHENOXYALKYL OR THIOPHENOXYALKYL SIDE CHAIN AB LEO (SE) 1991-05-02 EP disclosed