SCHEMBL30385356

SCHEMBL30385356

Cn1c(-c2cncc(OCc3ccccc3)c2)cc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 1/20 0.40
BACE1 P56817 1/20 0.39
INPPL1 O15357 3/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL1606710 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1606902 0.85 CHRNB1 (0.47) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1605581 0.78 CYP11B2 (0.39) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1605957 0.76 CYP11B2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1606382 0.76 CYP11B2 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL7947805 0.76 CYP11B2 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1606182 0.75 AOC3 (0.41) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL11688348 0.74 KMT2A (0.66) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7947331 0.74 CYP11B2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1606150 0.74 CYP11B2 (0.41) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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