SCHEMBL7566587

SCHEMBL7566587

Cn1cncc1C(N)(CCCO)c1ccc(C#N)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTB P49356 16/20 0.42
FNTA P49354 15/20 0.42
PGGT1B P53609 15/20 0.42
SIGMAR1 Q99720 1/20 0.38
HRH1 P35367 1/20 0.38
RORC P51449 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL7238053 0.81 FNTA (0.40) FNTBFNTAPGGT1B
SCHEMBL7694904 0.80 FNTB (0.39) FNTBFNTAPGGT1BSIGMAR1HRH1
SCHEMBL7701717 0.80 FNTB (0.39) FNTBFNTAPGGT1BSIGMAR1HRH1
SCHEMBL7589567 0.80 FNTB (0.39) FNTBFNTAPGGT1BSIGMAR1HRH1
SCHEMBL7244089 0.80 FNTA (0.41) FNTBFNTAPGGT1B
SCHEMBL7222091 0.80 FNTA (0.47) FNTBFNTAPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7220637 0.79 FNTA (0.47) FNTBFNTAPGGT1BCYP11B1CYP11B2
SCHEMBL7672909 0.78 CYP17A1 (0.48) FNTBFNTAPGGT1BRORCCYP11B1
SCHEMBL7244096 0.76 FNTA (0.38) FNTBFNTAPGGT1B
SCHEMBL7566589 0.75 FNTA (0.44) FNTBFNTAPGGT1BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002079147-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-10-10 WO disclosed
WO-2002078702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-10-10 WO disclosed