SCHEMBL7303729

SCHEMBL7303729

O=c1[nH]c(=O)n(CCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.64
DRD2 P14416 5/20 0.64
HTR2A P28223 4/20 0.64
HTR7 P34969 12/20 0.52
HTR6 P50406 3/20 0.52
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL7303413 0.85 MAPT (0.49) HTR1ADRD2HTR2A
SCHEMBL7306583 0.84 HTR1A (0.70) HTR1ADRD2HTR2AHTR7
SCHEMBL7297796 0.83 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7299129 0.83 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7300518 0.80 HTR7 (0.77) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL7297432 0.80 HTR7 (0.74) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL7301822 0.79 HTR1A (0.63) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7305169 0.77 HTR1A (0.61) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL23536279 0.76 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL29932017 0.76 HTR1A (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed