SCHEMBL6777880

SCHEMBL6777880

CCN(C)C1CCCC(c2nc3c(C(N)=O)cccc3[nH]2)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.61
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
SCHEMBL6782558 0.93 PARP1 (0.63) PARP1PARP2
SCHEMBL6782904 0.90 PARP1 (0.64) PARP1PARP2
SCHEMBL6786603 0.89 PARP1 (0.59) PARP1PARP2
SCHEMBL6787961 0.88 PARP1 (0.69) PARP1PARP2
SCHEMBL5072039 0.84 PARP1 (0.67) PARP1PARP2
SCHEMBL6777884 0.83 PARP1 (0.43) PARP1PARP2
SCHEMBL6781755 0.83 PARP1 (0.70) PARP1PARP2
SCHEMBL6780256 0.82 PARP1 (0.60) PARP1PARP2
SCHEMBL6781857 0.82 PARP1 (0.68) PARP1PARP2
SCHEMBL6777821 0.82 PARP1 (0.68) 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