SCHEMBL7654511

SCHEMBL7654511

CC(=O)OCc1cncn1Cc1ccc(C#N)c(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 4/20 0.51
FNTA P49354 10/20 0.47
FNTB P49356 10/20 0.47
PGGT1B P53609 10/20 0.47

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
SCHEMBL7194363 0.88 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL8005944 0.87 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7163166 0.85 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL6409239 0.84 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3501397 0.81 FNTA (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7970012 0.81 FNTA (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6366103 0.78 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7660878 0.78 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL7574960 0.77 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL3625451 0.77 CYP11B1 (0.77) 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-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 US disclosed