SCHEMBL7309614

SCHEMBL7309614

Nc1cccc2c1c(=O)[nH]c(=O)n2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.79
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL12231980 0.88 PARP1 (1.00) PARP1
SCHEMBL7302722 0.88 PARP1 (0.79) PARP1
SCHEMBL7300722 0.88 PARP1 (0.79) PARP1HTR7
SCHEMBL7307887 0.88 PARP1 (0.79) PARP1HTR1AHTR7HTR2AHTR2C
Hydrochloric Acid SCHEMBL7301292 0.87 PARP1 (0.98) PARP1
SCHEMBL7302586 0.85 PARP1 (0.75) PARP1MAPTKDM4EHTR1AHTR7
SCHEMBL7299268 0.85 PARP1 (0.73) PARP1
SCHEMBL7305161 0.84 PARP1 (0.73) PARP1
SCHEMBL7308879 0.82 PARP1 (0.70) PARP1
Sulfuric Acid SCHEMBL7308620 0.82 PARP1 (0.71) PARP1MEN1LMNAGAAMAPT

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