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SCHEMBL9051108

SCHEMBL9051108

CCC(=O)N(Cc1cccc2ccccc12)C(CCC(C)C(CN(Cc1cccc2ccccc12)S(C)(=O)=O)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1)C(NC(=O)Cc1cncn1Cc1ccc(C#N)cc1)C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 12/20 0.42
▸ FNTB P49356 12/20 0.42
▸ PGGT1B P53609 7/20 0.42
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35

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
SCHEMBL8296309 0.90 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8296308 0.90 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9051111 0.89 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9051105 0.89 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9055537 0.88 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8389730 0.85 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8389731 0.85 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8296917 0.83 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8296916 0.83 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9055548 0.81 FNTA (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 — — WO claimed