SCHEMBL7936898

SCHEMBL7936898

N#Cc1ccc(Cn2cncc2CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C2CCNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.50
FNTB P49356 14/20 0.50
PGGT1B P53609 8/20 0.50
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
KCNH2 Q12809 5/20 0.42

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
SCHEMBL7936114 0.77 SLC6A4 (0.51) FNTAFNTBPGGT1BKCNH2
SCHEMBL7937082 0.77 SLC6A4 (0.51) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936119 0.77 SLC6A4 (0.51) FNTAFNTBPGGT1BKCNH2
SCHEMBL7933703 0.77 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7933845 0.77 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7933707 0.77 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7933841 0.77 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7939485 0.74 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7939484 0.74 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7939464 0.71 FNTA (0.68) FNTAFNTBPGGT1BKCNH2

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