SCHEMBL5665647

SCHEMBL5665647

CCC[C@H]1CC[C@H](N2CCC(c3nc4c(C(N)=O)cccc4[nH]3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.74
PARP2 Q9UGN5 4/20 0.69

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
SCHEMBL5665655 1.00 PARP1 (0.74) PARP1PARP2
SCHEMBL5620579 0.94 PARP1 (0.75) PARP1PARP2
SCHEMBL5620581 0.94 PARP1 (0.75) PARP1PARP2
SCHEMBL6781558 0.90 PARP1 (0.70) PARP1PARP2
SCHEMBL5620739 0.89 PARP1 (0.70) PARP1PARP2
SCHEMBL5620744 0.89 PARP1 (0.70) PARP1PARP2
SCHEMBL6872013 0.86 PARP1 (0.55) PARP1PARP2
SCHEMBL631565 0.86 PARP1 (0.96) PARP1PARP2
SCHEMBL5621269 0.85 PARP1 (0.87) PARP1PARP2
SCHEMBL5620637 0.85 PARP1 (0.98) 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