SCHEMBL7994982

SCHEMBL7994982

N[C@@H](CS)CNc1ccc(Oc2cccc(CO)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.48
FNTB P49356 6/20 0.48
PGGT1B P53609 2/20 0.46
FFAR1 O14842 2/20 0.44

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 SCHEMBL8869430 0.99 FNTA (0.47) FNTAFNTBPGGT1BFFAR1
SCHEMBL8934731 0.89 FNTA (0.44) FNTAFNTBPGGT1BFFAR1
SCHEMBL7982907 0.82 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL7996775 0.82 FNTA (0.66) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7996767 0.81 FNTA (0.67) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8869016 0.81 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL8868864 0.81 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL7983059 0.79 FNTA (0.55) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7983211 0.78 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL8934722 0.76 FNTA (0.62) 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 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