SCHEMBL31467606

SCHEMBL31467606

COc1ccc(CN2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)C3)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ PRKAA2 P54646 7/20 0.38
▸ PRKAB2 O43741 5/20 0.38
▸ PRKAG1 P54619 5/20 0.38
▸ PRKAA1 Q13131 5/20 0.38
▸ PRKAG3 Q9UGI9 5/20 0.38
▸ PRKAG2 Q9UGJ0 5/20 0.38
▸ PRKAB1 Q9Y478 5/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ PPARD Q03181 1/20 0.37
▸ CCR9 P51686 1/20 0.37
▸ GHSR Q92847 1/20 0.36
▸ RORC P51449 4/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ PIK3CA P42336 3/20 0.35
▸ RET P07949 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL31467620 0.87 TRPV4 (0.41) TRPV4PPARDRORCPIK3CATLR7
SCHEMBL31467598 0.83 TRPV4 (0.41) TRPV4RORC
SCHEMBL31467569 0.82 KDM4E (0.42) PTGS2TRPV4CCR9
SCHEMBL31467634 0.82 TRPV4 (0.39) PTGS1PTGS2TRPV4TLR7
SCHEMBL31467643 0.82 CYP3A4 (0.47) TRPV4
SCHEMBL31467604 0.81 TRPV4 (0.40) TRPV4RORC
SCHEMBL31467644 0.79 TRPV4 (0.40) TRPV4RORC
SCHEMBL31467601 0.79 TRPV4 (0.37) TRPV4RORC
SCHEMBL25371906 0.79 TRPV4 (0.44) TRPV4
SCHEMBL30567044 0.79 TRPV4 (0.44) 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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