SCHEMBL6056480

SCHEMBL6056480

CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2C P18825 1/20 0.42
TACR2 P21452 1/20 0.42
MC5R P33032 1/20 0.42
DRD3 P35462 1/20 0.42
MC3R P41968 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
SCHEMBL7619723 0.95 MMP1 (0.41) MMP1EGFRFYNCHRM2CYP3A4
SCHEMBL6056388 0.85
SCHEMBL8395616 0.83 FNTB (0.48) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL5891478 0.82 EGFR (0.55) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL9182362 0.82 EGFR (0.55) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL6056513 0.81 FNTB (0.39) EGFRFYNCHRM2CYP3A4ADRA2A
SCHEMBL8399440 0.81
SCHEMBL14537266 0.81
SCHEMBL7619698 0.80 CAPN1 (0.35)
SCHEMBL9437492 0.79 SCN9A (0.44)

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 14 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
EP-0535730-A2 Inhibitors of farnesyl protein transferase MERCK & CO. INC. (US) 1993-04-07 EP claimed
WO-2006017369-A2 USE OF A FARNESYL TRANSFERASE INHIBITOR IN THE TREATMENT OF VIRAL INFECTIONS GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-02-16 WO disclosed
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
WO-1998057654-A1 METHODS FOR TREATMENT OF OCULAR NEOVASCULARIZATION JOHNS HOPKINS UNIVERSITY (US) 1998-12-23 WO 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-5480893-A ANTITUMOR MERCK & CO., INC. (US) 1996-01-02 US disclosed
US-5340828-A Anticarcinogenic agents MERCK & CO., INC. (US) 1994-08-23 US disclosed
EP-0535730-A2 Inhibitors of farnesyl protein transferase MERCK & CO. INC. (US) 1993-04-07 EP disclosed