SCHEMBL5620344

SCHEMBL5620344

CCCN1CCC(c2nc3c(C(N)=O)cccc3n2C(C)C)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.77
PARP2 Q9UGN5 2/20 0.58

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
SCHEMBL5621265 0.95 PARP1 (0.70) PARP1PARP2
SCHEMBL5620101 0.89 PARP1 (0.62) PARP1PARP2
SCHEMBL5621864 0.86 PARP1 (0.82) PARP1PARP2
SCHEMBL7043154 0.85 PARP1 (0.56) PARP1PARP2
SCHEMBL5622232 0.84 PARP1 (0.79) PARP1PARP2
SCHEMBL5619907 0.84 PARP1 (0.79) PARP1PARP2
SCHEMBL7705470 0.84 PARP1 (0.77) PARP1PARP2
SCHEMBL5620536 0.83 PARP1 (0.76) PARP1PARP2
SCHEMBL5620204 0.82 PARP1 (0.90) PARP1PARP2
SCHEMBL5620553 0.82 PARP1 (0.74) 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
US-RE39608-E1 Substituted benzimidazoles and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2007-05-01 US disclosed
US-6448271-B1 SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed