SCHEMBL9809355

SCHEMBL9809355

NC(=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
DRD2 P14416 7/20 0.58
DRD3 P35462 7/20 0.58
HTR1A P08908 6/20 0.58
HTR2A P28223 6/20 0.58
HRH1 P35367 6/20 0.58
SIGMAR1 Q99720 3/20 0.58
TMEM97 Q5BJF2 2/20 0.58
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
HRH2 P25021 2/20 0.57
DRD1 P21728 5/20 0.56
HRH3 Q9Y5N1 2/20 0.56
DRD5 P21918 4/20 0.55
HTR7 P34969 2/20 0.53
ADRA2C P18825 1/20 0.53

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
SCHEMBL9809297 0.86 HRH1 (0.63) USP2ALDH1A1HPGDDRD2DRD3
SCHEMBL1728918 0.85 USP2 (0.78) USP2ALDH1A1HPGDDRD2DRD3
SCHEMBL9809305 0.83 USP2 (0.59) USP2ALDH1A1HPGDDRD2DRD3
SCHEMBL13698800 0.82 USP2 (0.73) USP2ALDH1A1HPGDDRD2DRD3
Hydrochloric Acid SCHEMBL9809253 0.82 ALDH1A1 (0.58) USP2ALDH1A1HPGDDRD2DRD3
SCHEMBL24324269 0.81 USP2 (0.68) USP2ALDH1A1HPGDDRD2DRD3
Hydrochloric Acid SCHEMBL1730768 0.81 USP2 (0.71) USP2ALDH1A1HPGDDRD2DRD3
SCHEMBL9809294 0.80 HRH1 (0.64) USP2ALDH1A1HPGDDRD2DRD3
SCHEMBL12359053 0.79 USP2 (0.91) USP2ALDH1A1HPGDDRD2DRD3
SCHEMBL10510536 0.79 HTR1A (0.54) DRD2DRD3HTR1AHTR2AHRH1

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