SCHEMBL31467634

SCHEMBL31467634

COc1ccc(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 5/20 0.39
▸ PDE2A O00408 1/20 0.36
▸ CCR6 P51684 1/20 0.35
▸ HSD11B1 P28845 1/20 0.33
▸ NR3C1 P04150 2/20 0.33
▸ NOX4 Q9NPH5 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ SDHB P21912 1/20 0.32

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
SCHEMBL31467610 0.83 ALDH1A1 (0.46) TRPV4HSD11B1PTGS2
SCHEMBL31467606 0.82 PTGS1 (0.39) TRPV4PTGS1PTGS2TLR7
SCHEMBL31467620 0.81 TRPV4 (0.41) TRPV4TLR7
SCHEMBL31467636 0.79 TLR7 (0.40) TRPV4PTGS2TLR7
SCHEMBL31467601 0.79 TRPV4 (0.37) TRPV4
SCHEMBL25371906 0.79 TRPV4 (0.44) TRPV4
SCHEMBL30567044 0.79 TRPV4 (0.44) TRPV4
SCHEMBL31467598 0.79 TRPV4 (0.41) TRPV4
SCHEMBL31467616 0.79 TRPV4 (0.39) TRPV4
SCHEMBL31467629 0.78 TRPV4 (0.40) TRPV4

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-2025049275-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2025-03-06 — — WO disclosed
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