SCHEMBL30384459

SCHEMBL30384459

Cn1c(-c2cncc(CN3CCN(S(C)(=O)=O)CC3)c2)c(C#N)c2ccc(Cl)cc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.67
CYP11B1 P15538 2/20 0.67
CYP19A1 P11511 1/20 0.67
MAOA P21397 1/20 0.54
LSS P48449 2/20 0.36
RET P07949 1/20 0.36
HTR6 P50406 1/20 0.35
KDR P35968 1/20 0.35
ALK Q9UM73 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MCHR1 Q99705 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL1605183 1.00 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1MAOALSS
SCHEMBL1605978 0.89 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1MAOARET
SCHEMBL28107219 0.88 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1MAOARET
SCHEMBL12190200 0.86 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOARET
SCHEMBL1606585 0.85 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL1606593 0.84 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1MAOARET
SCHEMBL1606357 0.84 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOARET
SCHEMBL19417479 0.82 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOAMCHR1
SCHEMBL1606378 0.82 CYP11B2 (0.70) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL1606784 0.81 CYP11B2 (0.84) CYP11B2CYP11B1CYP19A1MAOA

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