SCHEMBL31180315

SCHEMBL31180315

O=C1Nc2c(Cl)cc(Br)cc2CO1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30

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
SCHEMBL10917967 0.81 CYP3A4 (0.34) CYP11B1CYP11B2AHRPDE3BPDE3A
SCHEMBL19805147 0.80 ABCC9 (0.31) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL18189576 0.74 AHR (0.53) CYP11B1CYP11B2AHRNMT1
SCHEMBL14779528 0.72 CYP11B1 (0.50) CYP11B1CYP11B2AHRNMT1
SCHEMBL30400829 0.70 KDM4E (0.39) NMT1PDE3BPDE3A
SCHEMBL2729772 0.70 KDM4E (0.39) NMT1PDE3BPDE3A
SCHEMBL787497 0.69 CYP11B1 (0.51) CYP11B1CYP11B2AHRPDE3BPDE3A
SCHEMBL30695802 0.69 CYP11B1 (0.51) CYP11B1CYP11B2AHRPDE3BPDE3A
SCHEMBL31430183 0.69 OTUD7B (0.32) AHRNMT1
SCHEMBL31430166 0.69 OTUD7B (0.32) AHRNMT1

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
WO-2024222814-A1 CYP11B2 INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 长春金赛药业有限责任公司 2024-10-31 — — WO disclosed
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