SCHEMBL7985615

SCHEMBL7985615

CC[C@H](C)[C@@H](COC(Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O)NC[C@@H]1CCC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 5/20 0.52
▸ FNTB P49356 5/20 0.52
▸ EGFR P00533 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ TACR2 P21452 1/20 0.43
▸ MC5R P33032 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ PGGT1B P53609 3/20 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
SCHEMBL6056468 0.94 EGFR (0.46) FNTAFNTBEGFRFYNCHRM2
SCHEMBL6056535 0.87 FNTA (0.49) FNTAFNTBEGFRFYNCHRM2
SCHEMBL6056422 0.81 EGFR (0.43) FNTAFNTBEGFRFYNCHRM2
SCHEMBL6056495 0.80 FNTA (0.54) FNTAFNTBKMT2APGGT1BLTA4H
SCHEMBL5891631 0.79 EGFR (0.67) FNTAFNTBEGFRFYNCHRM2
SCHEMBL6056453 0.78 FNTA (0.55) FNTAFNTBEGFRFYNCHRM2
SCHEMBL6056463 0.78 FNTA (0.55) FNTAFNTBEGFRFYNCHRM2
SCHEMBL8097286 0.77 FNTA (0.57) FNTAFNTBPGGT1BLTA4H
SCHEMBL6056460 0.76 FNTB (0.64) FNTAFNTBEGFRFYNCHRM2
SCHEMBL7623023 0.76 FNTA (0.48) FNTAFNTBGPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 — — EP claimed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 — — WO claimed
WO-1995009001-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 — — WO claimed
US-6160015-A ADMINISTERING TO MAMMAL A FARNESYL PROTEIN TRANSFERASE INHIBITOR UNIVERSITY OF CINCINNATI (US) 2000-12-12 — — US disclosed
EP-0840605-A4 COMPOUNDS USEFUL IN THE TREATMENT OF NEUROFIBROMATOSIS UNIV CINCINNATI (US) 2000-05-10 — — EP disclosed
EP-0840605-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEUROFIBROMATOSIS University of Cincinnati (US) 1998-05-13 — — EP disclosed
EP-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 — — EP disclosed
WO-1997002817-A1 COMPOUNDS USEFUL IN THE TREATMENT OF NEUROFIBROMATOSIS UNIVERSITY OF CINCINNATI (US) 1997-01-30 — — WO disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 — — WO disclosed
US-5576293-A TETRAPEPTIDES, ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-19 — — US disclosed
WO-1995009001-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 — — WO disclosed
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