SCHEMBL1996686

SCHEMBL1996686

CC(C)CN1CCCCC1c1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.77
PARP2 Q9UGN5 3/20 0.59

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
SCHEMBL630862 0.87 PARP1 (1.00) PARP1PARP2
SCHEMBL631188 0.86 PARP1 (0.81) PARP1PARP2
Hydrochloric Acid SCHEMBL18497043 0.85 PARP1 (0.79) PARP1PARP2
Hydrochloric Acid SCHEMBL18497042 0.85 PARP1 (0.79) PARP1PARP2
SCHEMBL659464 0.85 PARP1 (0.57) PARP1PARP2
SCHEMBL631014 0.84 PARP1 (0.94) PARP1PARP2
SCHEMBL630263 0.84 PARP1 (0.94) PARP1PARP2
SCHEMBL660171 0.82 PARP1 (0.56) PARP1PARP2
SCHEMBL656635 0.82 PARP1 (0.56) PARP1PARP2
SCHEMBL630282 0.82 PARP1 (0.76) PARP1PARP2

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
EP-2338487-B1 Combination therapy with PARP inhibitors ABBOTT LAB (US) 2013-09-11 EP disclosed
EP-2338487-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-29 EP disclosed