SCHEMBL30385035

SCHEMBL30385035

CN1CCC(NCc2cncc(-c3c(C#N)c4ccc(Cl)cc4n3C)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.65
CYP11B1 P15538 2/20 0.65
CYP19A1 P11511 1/20 0.65
MAOA P21397 1/20 0.55
KCNH2 Q12809 6/20 0.36
MCHR1 Q99705 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
OPRL1 P41146 3/20 0.35
CYP2D6 P10635 1/20 0.35
GRIN2B Q13224 1/20 0.35
MAP4K4 O95819 2/20 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
SCHEMBL1606201 1.00 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1MAOAKCNH2
SCHEMBL1605853 0.87 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL1605732 0.87 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL1605728 0.87 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL28451312 0.85 CYP11B2 (0.67) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL27935221 0.85 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOAOPRL1
SCHEMBL19417479 0.83 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOAKCNH2
SCHEMBL1606436 0.83 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1MAOAKCNH2
SCHEMBL1605733 0.83 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1MAOAKCNH2
SCHEMBL1605729 0.83 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1MAOAKCNH2

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