SCHEMBL7743300

SCHEMBL7743300

COC(=O)C(Cc1ccc(C#N)c(F)c1)c1cnc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.48
CPA1 P15085 1/20 0.43
CPB1 P15086 2/20 0.41
CYP11B2 P19099 7/20 0.39
CYP11B1 P15538 6/20 0.39
DAO P14920 1/20 0.39
CACNA1H O95180 3/20 0.38

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
SCHEMBL7743898 0.86 CPB2 (0.62) CPB2CPA1CPB1DAO
Lithium Ion SCHEMBL7743896 0.85 CPB2 (0.50) CPB2CPA1CPB1CYP11B2CYP11B1
SCHEMBL7086614 0.82 CPA1 (0.51) CPB2CPA1CPB1CYP11B2CYP11B1
SCHEMBL7704747 0.80 CACNA1H (0.40) CPB2CYP11B2CYP11B1DAOCACNA1H
SCHEMBL25211567 0.77 CACNA1H (0.43) DAOCACNA1H
SCHEMBL19862704 0.76 ESR1 (0.49) CYP11B2CYP11B1CACNA1H
SCHEMBL8865811 0.76 CPA1 (0.57) CPB2CPA1CPB1
SCHEMBL8764039 0.76 CPA1 (0.72) CPB2CPA1CPB1
SCHEMBL7749570 0.73 CPA1 (0.50) CPB2CPA1CPB1
SCHEMBL7704752 0.70 DAO (0.40) CYP11B2CYP11B1DAOCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091736-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1091736-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-18 EP disclosed
WO-2000001382-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed