SCHEMBL7300518

SCHEMBL7300518

COc1ccccc1N1CCN(CCCCn2c(=O)[nH]c(=O)c3ccccc32)CC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.77
HTR1A P08908 10/20 0.74
DRD2 P14416 2/20 0.65
HTR2A P28223 1/20 0.65
ADRA2A P08913 2/20 0.64
ADRA2B P18089 2/20 0.64
ADRB2 P07550 1/20 0.64
ADRA2C P18825 1/20 0.64
DRD3 P35462 1/20 0.62
PARP1 P09874 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL7301822 0.90 HTR1A (0.63) HTR7HTR1ADRD2HTR2AADRA2A
SCHEMBL7309594 0.89 HTR7 (0.68) HTR7HTR1ADRD2ADRA2AADRA2B
SCHEMBL7300725 0.88 HTR7 (0.67) HTR7HTR1ADRD2ADRA2AADRA2B
SCHEMBL7305169 0.88 HTR1A (0.61) HTR7HTR1ADRD2HTR2AADRA2A
SCHEMBL8131304 0.87 HTR7 (1.00) HTR7HTR1ADRD2ADRA2AADRA2B
SCHEMBL7297796 0.86 HTR1A (0.68) HTR7HTR1ADRD2HTR2A
SCHEMBL18010368 0.85 HTR7 (0.70) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL8128438 0.85 HTR7 (1.00) HTR7HTR1ADRD2ADRA2AADRA2B
SCHEMBL7306583 0.85 HTR1A (0.70) HTR7HTR1ADRD2HTR2A
SCHEMBL18028066 0.84 HTR7 (0.71) HTR7HTR1ADRD2HTR2ADRD3

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