SCHEMBL31366853

SCHEMBL31366853

N#Cc1ccc(C2(C(=O)OCc3ccc(F)cc3)CCc3cncn32)c(OC(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.77
CYP19A1 P11511 2/20 0.53
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 5/20 0.39
CYP11B1 P15538 2/20 0.33
PTGER1 P34995 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ENPP2 Q13822 1/20 0.32
ATXN2 Q99700 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CYP3A4 P08684 1/20 0.32
CACNA1C Q13936 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32

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
SCHEMBL1041433 0.90 CYP11B2 (0.79) CYP11B2CYP19A1FNTAFNTBPGGT1B
SCHEMBL30385317 0.87 CYP11B2 (1.00) CYP11B2CYP19A1FNTAFNTBPGGT1B
SCHEMBL1041019 0.87 CYP11B2 (1.00) CYP11B2CYP19A1FNTAFNTBPGGT1B
SCHEMBL30385322 0.85 CYP11B2 (0.81) CYP11B2CYP19A1FNTAFNTBPGGT1B
SCHEMBL1038849 0.85 CYP11B2 (0.81) CYP11B2CYP19A1FNTAFNTBPGGT1B
SCHEMBL1077701 0.76 CYP11B2 (0.73) CYP11B2CYP19A1
SCHEMBL1040020 0.76 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1
SCHEMBL23047216 0.76 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1
SCHEMBL16200646 0.76 CYP11B2 (0.80) CYP11B2CYP19A1CYP11B1
SCHEMBL1040490 0.75 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1

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
CN-113166204-B Cyclic peptides as inhibitors of proprotein convertase subtilisin/kexin type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-28 CN disclosed