SCHEMBL8937102

SCHEMBL8937102

CSCC[C@H](NC(=O)c1cccc(CN(C)Cc2c[nH]cn2)c1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.71
FNTB P49356 19/20 0.71
PGGT1B P53609 4/20 0.62

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 SCHEMBL8937024 0.99 FNTA (0.70) FNTAFNTBPGGT1B
SCHEMBL8936958 0.92 FNTA (0.70) FNTAFNTBPGGT1B
SCHEMBL8937032 0.91 FNTA (0.59) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8936978 0.91 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL8367905 0.85 FNTA (0.70) FNTAFNTBPGGT1B
SCHEMBL8367902 0.85 FNTA (0.70) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8937050 0.85 FNTA (0.69) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8590954 0.85 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL8536995 0.84 FNTA (0.80) FNTAFNTBPGGT1B
SCHEMBL8937043 0.83 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US disclosed