SCHEMBL31572383

SCHEMBL31572383

COC(=O)Cc1ccc(Nc2nc(N3CC=C(c4ncc(Cl)cn4)CC3)nc3c2[S+]([O-])CC3)cc1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.33
▸ PDE4B Q07343 4/20 0.33
▸ PDE4D Q08499 4/20 0.33
▸ AOC3 Q16853 4/20 0.31
▸ BCL6 P41182 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31
▸ EIF2AK3 Q9NZJ5 1/20 0.31

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
SCHEMBL31571887 0.92 PDE4B (0.36) TRPV1PDE4BPDE4DKCNH2GPR119
SCHEMBL31572399 0.89 BCL6 (0.39) TRPV1PDE4BPDE4DBCL6MEN1
SCHEMBL31572385 0.85 GPR119 (0.35) TRPV1PDE4BPDE4DAOC3BCL6
SCHEMBL31572370 0.83 PDE4B (0.52) PDE4BPDE4D
SCHEMBL31572374 0.81 PDE4B (0.37) TRPV1PDE4BPDE4DBCL6KCNH2
SCHEMBL31572397 0.80 GPR119 (0.35) TRPV1PDE4BPDE4DBCL6MAPT
SCHEMBL31572369 0.79 PDE4B (0.40) PDE4BPDE4DMEN1MAPTKMT2A
SCHEMBL31571853 0.77 GPR119 (0.35) TRPV1PDE4BPDE4DAOC3BCL6
SCHEMBL31571873 0.75 PDE4B (0.55) PDE4BPDE4D
SCHEMBL31572367 0.71 PDE4B (0.55) PDE4BPDE4DBCL6

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-2025092985-A1 PHOSPHODIESTERASE 4B INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 合肥医工医药股份有限公司 2025-05-08 — — WO disclosed
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