SCHEMBL9401005

SCHEMBL9401005

O=C1Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.58
DRD2 P14416 6/20 0.56
HTR2A P28223 6/20 0.56
HTR7 P34969 5/20 0.56
HTR6 P50406 5/20 0.56
DRD3 P35462 4/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
ABCB11 O95342 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD4 P21917 1/20 0.56
CYP2C19 P33261 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
SCHEMBL9400976 0.98 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9480144 0.89 HTR1A (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400985 0.86 HTR1A (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400925 0.86 HTR1A (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400893 0.85 HTR1A (0.70) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9401003 0.84 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9482293 0.84 HTR1A (0.62) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9481250 0.84 HTR1A (0.62) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400899 0.84 HTR1A (0.62) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400903 0.84 HTR1A (0.71) HTR1ADRD2HTR2AHTR7HTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed