SCHEMBL3355607

SCHEMBL3355607

CCCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.49
CYP1A2 P05177 1/20 0.47
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP19A1 P11511 1/20 0.46
KRAS P01116 1/20 0.45
GLS O94925 1/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
AR P10275 1/20 0.41

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
Dimethylamine SCHEMBL18941266 0.96 HTR7 (0.46) HTR7CYP1A2PLGPLAUSLC6A2
SCHEMBL2479169 0.91 HTR7 (0.47) HTR7CYP1A2PLGPLAUSLC6A2
SCHEMBL15712293 0.88 HTR7 (0.62) HTR7CYP1A2CYP19A1MAPTMEN1
SCHEMBL2420811 0.88 CYP1A2 (0.53) HTR7CYP1A2PLGPLAUSLC6A2
SCHEMBL29167245 0.85 MAPT (0.51) HTR7PLGPLAUSLC6A2CYP19A1
SCHEMBL30672928 0.85 PLG (0.46) HTR7PLGPLAUSLC6A2CYP19A1
SCHEMBL27768896 0.85 KRAS (0.47) HTR7CYP1A2PLGPLAUSLC6A2
SCHEMBL16371052 0.85 PLG (0.46) HTR7PLGPLAUSLC6A2CYP19A1
SCHEMBL30785020 0.85 MAPT (0.51) HTR7PLGPLAUSLC6A2CYP19A1
SCHEMBL30410682 0.85 HTR6 (0.51) HTR7CYP1A2PLGPLAUSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 US disclosed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 WO disclosed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed