SCHEMBL6779326

SCHEMBL6779326

CCCNC1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.66
PARP2 Q9UGN5 4/20 0.66

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
SCHEMBL6782073 0.91 PARP1 (0.69) PARP1PARP2
SCHEMBL6787531 0.88 PARP1 (0.59) PARP1PARP2
SCHEMBL6780859 0.85 PARP1 (0.73) PARP1PARP2
SCHEMBL6781558 0.84 PARP1 (0.70) PARP1PARP2
SCHEMBL6779329 0.83 PARP1 (0.50) PARP1PARP2
SCHEMBL6781828 0.83 PARP1 (0.50) PARP1PARP2
SCHEMBL6787330 0.83 PARP1 (0.50) PARP1PARP2
SCHEMBL5072050 0.82 PARP1 (0.78) PARP1PARP2
SCHEMBL6781631 0.82 PARP1 (0.67) PARP1PARP2
SCHEMBL6781755 0.81 PARP1 (0.70) 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