SCHEMBL9809305

SCHEMBL9809305

CNC(=S)N1CCN(CCCOc2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
HRH1 P35367 4/20 0.57
HRH2 P25021 2/20 0.57
DRD2 P14416 6/20 0.54
DRD3 P35462 5/20 0.54
HTR1A P08908 4/20 0.54
HTR2A P28223 4/20 0.54
SIGMAR1 Q99720 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD1 P21728 4/20 0.53
HRH3 Q9Y5N1 2/20 0.52
DRD5 P21918 3/20 0.52
ADRA2C P18825 1/20 0.50
HTR7 P34969 1/20 0.50

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 SCHEMBL9809253 0.99 ALDH1A1 (0.58) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809302 0.88 HRH2 (0.47) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809265 0.85 HRH1 (0.63) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809355 0.83 USP2 (0.59) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL1728918 0.82 USP2 (0.78) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809306 0.81 DRD2 (0.53) HRH1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL10938367 0.80 DRD2 (0.50) HRH1HRH2DRD2DRD3HTR1A
SCHEMBL12359053 0.79 USP2 (0.91) USP2ALDH1A1HPGDHRH1DRD2
SCHEMBL13698800 0.79 USP2 (0.73) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL10507398 0.79 SIGMAR1 (0.55) DRD2DRD3SIGMAR1LMNAMEN1

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 claimed