SCHEMBL8097350

SCHEMBL8097350

COC(=O)C1CNCC(NC(=O)Cc2cncn2Cc2ccc(C#N)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.54
CYP11B2 P19099 5/20 0.54
FNTA P49354 14/20 0.45
FNTB P49356 14/20 0.45
PGGT1B P53609 9/20 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
SCHEMBL8095360 1.00 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097345 1.00 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097761 0.83 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097754 0.83 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8102447 0.81 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095929 0.81 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8102452 0.81 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095930 0.81 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8098267 0.81 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8102449 0.81 FNTA (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed