SCHEMBL8667990

SCHEMBL8667990

CC(C)(C)OC(=O)CNC1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.55
CCKAR P32238 3/20 0.47
LMNA P02545 1/20 0.46
OPRK1 P41145 1/20 0.46
PDE3A Q14432 1/20 0.46
OXTR P30559 1/20 0.45
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 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
SCHEMBL8803196 0.92 CCKBR (0.47) CCKBRCCKAROPRK1PDE4DKCNH2
SCHEMBL8669229 0.90 CCKBR (0.57) CCKBRCCKARLMNA
SCHEMBL8669189 0.89 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8801767 0.82 BRD4 (0.41) CCKBRLMNAOPRK1PDE3AHTR2B
SCHEMBL8667987 0.80 HTR2B (0.51) CCKBRCCKARLMNAOPRK1PDE3A
SCHEMBL26334401 0.80 OPRK1 (0.48) CCKBRLMNAOPRK1PDE3AHTR2B
SCHEMBL31629832 0.80 OPRK1 (0.48) CCKBRLMNAOPRK1PDE3AHTR2B
SCHEMBL25411419 0.80 CCKBR (0.56) CCKBRLMNAOPRK1PDE3AHTR2B
SCHEMBL25411426 0.80 CCKBR (0.56) CCKBRLMNAOPRK1PDE3AHTR2B
SCHEMBL31366502 0.80 CCKBR (0.56) CCKBRLMNAOPRK1PDE3AHTR2B

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
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed