SCHEMBL7301822

SCHEMBL7301822

CCOc1ccccc1N1CCN(CCCCn2c(=O)[nH]c(=O)c3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.63
DRD2 P14416 5/20 0.63
HTR2A P28223 4/20 0.63
HTR7 P34969 9/20 0.63
ADRA1B P35368 5/20 0.59
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
HTR6 P50406 2/20 0.52
ADRB2 P07550 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52

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
SCHEMBL7305169 0.92 HTR1A (0.61) HTR1ADRD2HTR2AHTR7ADRA1B
SCHEMBL7300518 0.90 HTR7 (0.77) HTR1ADRD2HTR2AHTR7ADRB2
SCHEMBL7301705 0.86 LMNA (0.61) HTR1ADRD2HTR2AHTR7ADRA1B
SCHEMBL7297796 0.84 HTR1A (0.68) HTR1ADRD2HTR2AHTR7ADRA1B
SCHEMBL7306583 0.83 HTR1A (0.70) HTR1ADRD2HTR2AHTR7ADRA1B
SCHEMBL7299129 0.82 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7309594 0.80 HTR7 (0.68) HTR1ADRD2HTR7ADRA1BADRA1D
SCHEMBL2351486 0.80 ADRA1B (0.75) HTR1ADRD2HTR2AHTR7ADRA1B
SCHEMBL7297432 0.80 HTR7 (0.74) HTR1ADRD2HTR2AHTR7
SCHEMBL7300725 0.79 HTR7 (0.67) HTR1ADRD2HTR7ADRA1BADRA1D

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