SCHEMBL8388776

SCHEMBL8388776

CC(C)(C)OC(=O)NCC(NC(=O)Cc1cncn1Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 5/20 0.52
FNTA P49354 12/20 0.49
FNTB P49356 12/20 0.49
PGGT1B P53609 3/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL8389708 0.92 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8392096 0.88 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9052035 0.86 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8388840 0.86 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8392037 0.85 CTSB (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9051478 0.84 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8390690 0.84 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8388772 0.82 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8389606 0.78 CTSB (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9058692 0.76 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 WO disclosed