SCHEMBL5308873

SCHEMBL5308873

CN1CCN(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
TMEM97 Q5BJF2 6/20 0.56
SIGMAR1 Q99720 6/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
HRH2 P25021 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1E P28566 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL2607031 0.90 MEN1 (0.66) CYP2C19GAATSHRTMEM97SIGMAR1
SCHEMBL24673292 0.90 MEN1 (0.66) CYP2C19GAATSHRTMEM97SIGMAR1
SCHEMBL2954213 0.85 TSHR (0.63) CYP2C19GAATSHRMEN1KMT2A
SCHEMBL24091701 0.85 TMEM97 (0.60) CYP2C19TMEM97SIGMAR1HTR1AADRA2A
SCHEMBL22014628 0.84 MEN1 (0.80) CYP2C19GAATSHRTMEM97SIGMAR1
SCHEMBL31443404 0.84 SMN1; SMN2 (0.58) CYP2C19GAATSHRMEN1KMT2A
SCHEMBL6237772 0.83 MEN1 (0.61) CYP2C19GAATSHRMEN1KMT2A
SCHEMBL3970912 0.83 MEN1 (0.76) CYP2C19GAATSHRHTR2CMEN1
SCHEMBL4814264 0.83 MEN1 (0.76) CYP2C19GAATSHRHTR2CMEN1
SCHEMBL7393652 0.83 MEN1 (0.76) CYP2C19GAATSHRHTR2CMEN1

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
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed