SCHEMBL8801867

SCHEMBL8801867

CNC(NC1CC2COCC(C1)N2CCCOc1ccc(F)cc1)=C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH2 P25021 4/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL7491968 0.82 OPRK1 (0.44) DRD3
SCHEMBL7491243 0.77 SLC6A3 (0.42) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL8324204 0.74 HTR1A (0.46) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL7496549 0.74 HTR1A (0.46) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL8325986 0.70 HRH1 (0.35) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL8327259 0.70 HTR1A (0.46) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL8328665 0.69 HTR1A (0.42) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL7496390 0.69 OPRK1 (0.44) DRD3
SCHEMBL7496396 0.69 OPRK1 (0.44) DRD3
SCHEMBL8329414 0.64 SIGMAR1 (0.53) HTR2ADRD3TMEM97SIGMAR1ALDH1A1

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-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed