SCHEMBL9052035

SCHEMBL9052035

Cc1cccc(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cc2cncn2Cc2ccc(C#N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.48
FNTB P49356 13/20 0.48
PGGT1B P53609 5/20 0.48
KCNH2 Q12809 1/20 0.46
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45

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
SCHEMBL8388840 1.00 FNTA (0.48) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL9051478 0.88 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8390690 0.88 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8391968 0.86 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8388776 0.86 CYP11B1 (0.52) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8389708 0.85 CYP11B1 (0.56) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8392096 0.82 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL9052174 0.80 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8388772 0.80 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL9052592 0.79 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