SCHEMBL5620195

SCHEMBL5620195

CC(=O)N1CCCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.65
DHODH Q02127 1/20 0.50

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
SCHEMBL5621895 0.95 PARP1 (0.71) PARP1
SCHEMBL5621000 0.86 PARP1 (0.68) PARP1
SCHEMBL6873874 0.84 PARP1 (0.46) PARP1
SCHEMBL5620745 0.83 PARP1 (0.74) PARP1
SCHEMBL5620810 0.83 PARP1 (0.64) PARP1
SCHEMBL5620197 0.82 PARP1 (0.44) PARP1
SCHEMBL5621386 0.82 PARP1 (0.62) PARP1
SCHEMBL5621907 0.81 PARP1 (0.66) PARP1
SCHEMBL5620966 0.81 PARP1 (0.69) PARP1
SCHEMBL7409990 0.81 PARP1 (0.43) PARP1

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