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SCHEMBL25844259

SCHEMBL25844259

ON=C(c1c(F)cccc1C(F)(F)F)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.48
▸ TRPV1 Q8NER1 2/20 0.48
▸ HSD11B1 P28845 4/20 0.45
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RBP4 P02753 1/20 0.43

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
SCHEMBL23064386 0.83 TRPA1 (0.51) TRPA1TRPV1
SCHEMBL23064385 0.83 TRPA1 (0.51) TRPA1TRPV1
SCHEMBL25844260 0.82 RBP4 (0.48) TRPA1TRPV1RBP4
SCHEMBL23064353 0.82 RORC (0.42) TRPV1HSD11B1
SCHEMBL23064356 0.82 RORC (0.42) TRPV1HSD11B1
SCHEMBL30778002 0.82 RORC (0.42) TRPV1HSD11B1
SCHEMBL31050098 0.75 RORC (0.48) TRPV1HSD11B1
SCHEMBL30633886 0.71 TRPA1 (0.52) TRPA1TRPV1RBP4
SCHEMBL23064252 0.71 TRPA1 (0.52) TRPA1TRPV1RBP4
SCHEMBL23064280 0.70 MAPT (0.37) TRPV1HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023163203-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING RENAL DISEASE 国立大学法人大阪大学 2023-08-31 — — WO disclosed
WO-2023132208-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING HEART FAILURE 国立大学法人大阪大学 2023-07-13 — — WO disclosed