SCHEMBL6780848

SCHEMBL6780848

CN(C)[C@H]1CC[C@@H](c2nc3cccc(C(N)=O)c3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.51
PARP2 Q9UGN5 3/20 0.44

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
SCHEMBL6788555 1.00 PARP1 (0.51) PARP1PARP2
SCHEMBL6787793 1.00 PARP1 (0.51) PARP1PARP2
SCHEMBL6787963 0.90 PARP1 (0.48) PARP1PARP2
SCHEMBL6787134 0.88 PARP1 (0.49) PARP1PARP2
SCHEMBL6785917 0.88 PARP1 (0.49) PARP1PARP2
SCHEMBL6781757 0.88 PARP1 (0.49) PARP1PARP2
SCHEMBL6782909 0.87 PARP1 (0.43) PARP1PARP2
SCHEMBL5072053 0.86 PARP1 (0.54) PARP1PARP2
SCHEMBL6782750 0.85 PARP1 (0.52) PARP1PARP2
SCHEMBL6778530 0.85 PARP1 (0.52) 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