SCHEMBL6782909

SCHEMBL6782909

CN(C)C1CCCC(c2nc3cccc(C(N)=O)c3[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.43
PARP2 Q9UGN5 3/20 0.40

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
SCHEMBL6777884 0.90 PARP1 (0.43) PARP1PARP2
SCHEMBL6782559 0.89 PARP1 (0.44) PARP1PARP2
SCHEMBL6788555 0.87 PARP1 (0.51) PARP1PARP2
SCHEMBL6787793 0.87 PARP1 (0.51) PARP1PARP2
SCHEMBL6780848 0.87 PARP1 (0.51) PARP1PARP2
SCHEMBL5072046 0.86 PARP1 (0.45) PARP1PARP2
SCHEMBL6786607 0.86 PARP1 (0.44) PARP1PARP2
SCHEMBL6782743 0.85 PARP1 (0.45) PARP1PARP2
SCHEMBL6781860 0.85 PARP1 (0.45) PARP1PARP2
SCHEMBL6777824 0.85 PARP1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737421-B1 4-CARBOXYAMIDO SUBSTITUTED; NEURODEGENERATIVE DISEASES; NEURONAL DAMAGE ABBOTT GMBH & CO. KG (DE) 2004-05-18 US disclosed