SCHEMBL7996402

SCHEMBL7996402

N[C@@H](CS)CNc1cccc(C(=O)NCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.54
FNTA P49354 3/20 0.54
FNTB P49356 3/20 0.54
PGGT1B P53609 3/20 0.54
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CFD P00746 1/20 0.51
ROCK2 O75116 5/20 0.51
GRK2 P25098 5/20 0.51
PRKCA P17252 2/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL7996400 1.00 SIRT2 (0.54) SIRT2FNTAFNTBPGGT1BHDAC2
Hydrochloric Acid SCHEMBL7996930 0.99 SIRT2 (0.53) SIRT2FNTAFNTBPGGT1BHDAC2
Hydrochloric Acid SCHEMBL7996929 0.99 SIRT2 (0.53) SIRT2FNTAFNTBPGGT1BHDAC2
SCHEMBL8934745 0.87 HTT (0.48) SIRT2FNTAFNTBPGGT1BROCK2
SCHEMBL8934744 0.87 HTT (0.48) SIRT2FNTAFNTBPGGT1BROCK2
SCHEMBL7997171 0.85 CA2 (0.49) FNTAFNTBPGGT1BLMNA
SCHEMBL7997173 0.85 CA2 (0.49) FNTAFNTBPGGT1BLMNA
SCHEMBL7994798 0.85 FNTA (0.58) SIRT2FNTAFNTBPGGT1BHDAC2
SCHEMBL7994795 0.85 FNTA (0.58) SIRT2FNTAFNTBPGGT1BHDAC2
Hydrochloric Acid SCHEMBL7993324 0.85 CA2 (0.48) FNTAFNTBPGGT1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP claimed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP claimed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed