SCHEMBL7933841

SCHEMBL7933841

N#Cc1ccc(Cn2cncc2CN(C(=O)c2cncc3ccccc23)C2CCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.49
FNTB P49356 16/20 0.49
PGGT1B P53609 9/20 0.49
KCNH2 Q12809 5/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 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
SCHEMBL7933845 1.00 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7937082 0.85 SLC6A4 (0.51) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936119 0.85 SLC6A4 (0.51) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936114 0.85 SLC6A4 (0.51) FNTAFNTBPGGT1BKCNH2
SCHEMBL7933707 0.83 FNTA (0.56) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7933703 0.83 FNTA (0.56) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7933723 0.81 FNTA (0.43) FNTAFNTBPGGT1BKCNH2
SCHEMBL7939484 0.80 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7939485 0.80 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7936898 0.77 FNTA (0.50) FNTAFNTBPGGT1BKCNH2CYP11B1

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