SCHEMBL30385199

SCHEMBL30385199

CCOC(=O)c1cncc(-c2c(C#N)c3ccccc3n2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.59
TDP1 Q9NUW8 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP19A1 P11511 1/20 0.44
MAOA P21397 1/20 0.43
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL1605961 1.00 CYP11B2 (0.59) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL13122291 0.89 CYP11B2 (0.59) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL3674058 0.84 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL1605747 0.80 CYP11B2 (0.65) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL1605877 0.77 CYP11B2 (0.64) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL1606735 0.77 CYP11B2 (0.64) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL1605856 0.76 CYP11B2 (0.70) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL1606066 0.76 CYP11B2 (0.68) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL1605235 0.76 CYP11B2 (0.68) CYP11B2TDP1CYP11B1CYP19A1MAOA
SCHEMBL3685276 0.76 CYP11B2 (0.68) CYP11B2TDP1CYP11B1CYP19A1MAOA

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 3 patents. 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
CN-113166114-B Cyclic tetramer compounds 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 2025-01-03 CN disclosed
WO-2023084449-A1 DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-05-19 WO disclosed