SCHEMBL7713236

SCHEMBL7713236

COC(=O)CCc1cncn1Cc1ccc(C#N)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.70
CYP11B2 P19099 12/20 0.70
CACNA1H O95180 7/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL7704743 0.90 CYP11B1 (0.55) CYP11B1CYP11B2CACNA1HFNTAFNTB
SCHEMBL7713288 0.88 CYP11B1 (0.54) CYP11B1CYP11B2CACNA1H
SCHEMBL7971164 0.87 CYP11B1 (0.52) CYP11B1CYP11B2CACNA1H
SCHEMBL7709344 0.86 CYP11B1 (0.51) CYP11B1CYP11B2CACNA1H
SCHEMBL7714120 0.86 CYP11B1 (0.52) CYP11B1CYP11B2CACNA1HFNTAFNTB
Lithium Ion SCHEMBL7709340 0.85 CYP11B2 (0.50) CYP11B1CYP11B2CACNA1H
SCHEMBL3825172 0.83 CYP11B1 (1.00) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL17544415 0.81 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL7163166 0.81 CYP11B1 (0.55) CYP11B1CYP11B2CACNA1HFNTAFNTB
SCHEMBL7183733 0.81 CYP11B1 (0.46) CYP11B1CYP11B2CACNA1HFNTAFNTB

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed