SCHEMBL8453364

SCHEMBL8453364

CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.59
FNTB P49356 12/20 0.59
PARP1 P09874 1/20 0.51
PGGT1B P53609 1/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NR1D1 P20393 1/20 0.43

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
SCHEMBL8453359 1.00 FNTA (0.59) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL5740245 0.91 FNTA (0.51) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL5740252 0.91 FNTA (0.51) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL8574801 0.91 FNTA (0.51) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL8576632 0.90 FNTA (0.57) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL8390112 0.89 FNTA (0.62) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL8390110 0.89 FNTA (0.62) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL8574812 0.89 PARP1 (0.51) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL8574809 0.89 PARP1 (0.51) FNTAFNTBPARP1PGGT1BALDH1A1
SCHEMBL8572840 0.88 FNTA (0.49) FNTAFNTBPARP1PGGT1BALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US disclosed
US-5736539-A ANITCARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-04-07 US disclosed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
EP-0703905-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-04-03 EP disclosed
WO-1995000497-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-01-05 WO disclosed