SCHEMBL630282

SCHEMBL630282

CC(C)CN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)C1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.76
PARP2 Q9UGN5 2/20 0.71

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
SCHEMBL5620099 0.95 PARP1 (0.76) PARP1PARP2
SCHEMBL21793984 0.92 PARP1 (0.73) PARP1PARP2
SCHEMBL630352 0.91 PARP1 (0.74) PARP1PARP2
SCHEMBL21793978 0.90 PARP1 (0.73) PARP1PARP2
SCHEMBL5621431 0.89 PARP1 (0.79) PARP1PARP2
Hydrochloric Acid SCHEMBL7702646 0.88 PARP1 (0.78) PARP1PARP2
SCHEMBL630104 0.86 PARP1 (1.00) PARP1PARP2
SCHEMBL629961 0.85 PARP1 (1.00) PARP1PARP2
SCHEMBL630780 0.85 PARP1 (0.76) PARP1PARP2
SCHEMBL2031098 0.84 PARP1 (0.88) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338487-B1 Combination therapy with PARP inhibitors ABBOTT LAB (US) 2013-09-11 EP disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2338487-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-29 EP disclosed
EP-2329818-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-08 EP disclosed