SCHEMBL7933703

SCHEMBL7933703

Cc1ncccc1C(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)C1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.56
FNTB P49356 12/20 0.56
KCNH2 Q12809 6/20 0.55
PGGT1B P53609 6/20 0.47
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43

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
SCHEMBL7933707 1.00 FNTA (0.56) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL7939484 0.89 FNTA (0.59) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL7939485 0.89 FNTA (0.59) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL7933845 0.83 FNTA (0.49) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL7933841 0.83 FNTA (0.49) FNTAFNTBKCNH2PGGT1BCYP11B1
SCHEMBL7936114 0.80 SLC6A4 (0.51) FNTAFNTBKCNH2PGGT1B
SCHEMBL7937082 0.80 SLC6A4 (0.51) FNTAFNTBKCNH2PGGT1B
SCHEMBL7936119 0.80 SLC6A4 (0.51) FNTAFNTBKCNH2PGGT1B
SCHEMBL7936010 0.77 FNTA (0.46) FNTAFNTBKCNH2PGGT1B
SCHEMBL7936898 0.77 FNTA (0.50) FNTAFNTBKCNH2PGGT1BCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed