SCHEMBL7994646

SCHEMBL7994646

Cc1cccc(Oc2cccc(NC[C@@H](N)CS)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.60
FNTB P49356 4/20 0.60
ALDH1A1 P00352 2/20 0.44
PGGT1B P53609 2/20 0.44
GAA P10253 1/20 0.42
LTA4H P09960 1/20 0.42

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
Hydrochloric Acid SCHEMBL7998320 0.99 FNTA (0.59) FNTAFNTBALDH1A1PGGT1BGAA
SCHEMBL8934697 0.96 FNTA (0.56) FNTAFNTBALDH1A1PGGT1BGAA
SCHEMBL7996775 0.91 FNTA (0.66) FNTAFNTBALDH1A1PGGT1BLTA4H
Hydrochloric Acid SCHEMBL8869016 0.90 FNTA (0.64) FNTAFNTBALDH1A1PGGT1BLTA4H
SCHEMBL7983059 0.87 FNTA (0.55) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7983211 0.86 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL8869530 0.80 FNTA (0.63) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8868606 0.79 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL8870488 0.79 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7996915 0.78 FNTA (0.60) FNTAFNTBPGGT1B

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
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