SCHEMBL7665146

SCHEMBL7665146

N#Cc1ccc(Cn2cncc2CN2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.73
FNTB P49356 18/20 0.73
PGGT1B P53609 17/20 0.73
CYP11B1 P15538 2/20 0.60
CYP11B2 P19099 2/20 0.60

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
SCHEMBL5583298 0.85 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL7680621 0.84 FNTA (0.62) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7592794 0.84 FNTA (0.67) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7589813 0.84 FNTA (0.66) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7685251 0.84 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7683462 0.84 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7684988 0.83 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7682385 0.83 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7687123 0.83 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7680332 0.83 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355643-B1 ENZYME INHIBITORS, RAS GENES AND PROTEINS MERCK & CO., INC. 2002-03-12 US claimed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US claimed
US-6355643-B1 ENZYME INHIBITORS, RAS GENES AND PROTEINS MERCK & CO., INC. 2002-03-12 US disclosed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed