SCHEMBL4446340

SCHEMBL4446340

C[C@H](Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(=O)N3CCOCC3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00

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
SCHEMBL5102472 1.00 PARP1 (1.00) PARP1
SCHEMBL4441096 0.94 PARP1 (1.00) PARP1
SCHEMBL5090485 0.86 PARP1 (1.00) PARP1
SCHEMBL4566311 0.85 PARP1 (1.00) PARP1
SCHEMBL4555526 0.81 PARP1 (1.00) PARP1
SCHEMBL4556069 0.80 PARP1 (1.00) PARP1
SCHEMBL4556070 0.80 PARP1 (1.00) PARP1
SCHEMBL4439198 0.79 PARP1 (1.00) PARP1
SCHEMBL4443430 0.78 PARP1 (1.00) PARP1
SCHEMBL4565865 0.76 PARP1 (1.00) 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
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed