SCHEMBL7300294

SCHEMBL7300294

O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2c(Cl)cccc12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.62
KCNH2 Q12809 1/20 0.52
PARP2 Q9UGN5 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
SCHEMBL7305161 0.84 PARP1 (0.73) PARP1
SCHEMBL7307887 0.84 PARP1 (0.79) PARP1KCNH2PARP2
SCHEMBL7302855 0.81 PARP1 (0.64) PARP1
SCHEMBL7308221 0.81 PARP1 (0.63) PARP1
SCHEMBL7307433 0.81 PARP1 (0.62) PARP1
SCHEMBL7300024 0.78 PARP1 (0.58) PARP1
SCHEMBL7303316 0.78 PARP1 (0.64) PARP1
SCHEMBL7299748 0.78 PARP1 (0.63) PARP1
Bromide SCHEMBL7303725 0.77 PARP1 (0.63) PARP1
Hydrochloric Acid SCHEMBL7301544 0.77 PARP1 (0.63) PARP1

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