SCHEMBL9218121

SCHEMBL9218121

CCCC[C@H]1CN(C(=O)c2cccc3c2OCC3)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
MGLL Q99685 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
FNTA P49354 7/20 0.40
FNTB P49356 7/20 0.40
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
CTSK P43235 1/20 0.34

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
SCHEMBL8574986 0.82 FNTA (0.58) PARP1HCRTR1HCRTR2FNTAFNTB
SCHEMBL8453359 0.82 FNTA (0.59) PARP1FNTAFNTBPOLB
SCHEMBL8574983 0.82 FNTA (0.58) PARP1HCRTR1HCRTR2FNTAFNTB
SCHEMBL8453364 0.82 FNTA (0.59) PARP1FNTAFNTBPOLB
SCHEMBL8573446 0.78 PARP1 (0.52) PARP1HCRTR1HCRTR2FNTAFNTB
SCHEMBL8573445 0.78 PARP1 (0.52) PARP1HCRTR1HCRTR2FNTAFNTB
SCHEMBL7628124 0.76 FNTA (0.70) PARP1MGLLHCRTR1HCRTR2FNTA
SCHEMBL8574801 0.73 FNTA (0.51) PARP1FNTAFNTBMEN1KMT2A
SCHEMBL5740252 0.73 FNTA (0.51) PARP1FNTAFNTBPOLB
SCHEMBL5740245 0.73 FNTA (0.51) PARP1FNTAFNTBPOLB

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
WO-1995000497-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-01-05 WO disclosed