SCHEMBL6200224

SCHEMBL6200224

CN1CCC(N2CCC(c3nc4cccc5c4n3CCNC5=O)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.56
PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL7160869 0.82 PARP1 (0.62) PARP1PARP2
SCHEMBL6198585 0.82 PARP1 (0.69) PARP1PARP2
SCHEMBL6202231 0.82 PARP1 (0.74) PARP1PARP2
SCHEMBL6200871 0.82 PARP1 (0.74) PARP1PARP2
SCHEMBL6199748 0.82 PARP1 (0.62) PARP1PARP2
Hydrochloric Acid SCHEMBL6200399 0.82 PARP1 (0.73) PARP1PARP2
Hydrochloric Acid SCHEMBL6201744 0.82 PARP1 (0.71) PARP1PARP2
SCHEMBL7161854 0.78 PARP1 (0.71) PARP1PARP2
SCHEMBL7505542 0.78 PARP1 (0.79) PARP1PARP2
Hydrochloric Acid SCHEMBL6200838 0.77 PARP1 (0.77) 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
EP-1222191-B1 BENZODIAZEPIN DERIVATIVES, THE PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed