SCHEMBL26106984

SCHEMBL26106984

O=CC=CN1CCN(c2nccnc2[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.39
▸ HSD11B1 P28845 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ AKT3 Q9Y243 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 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
SCHEMBL26107780 1.00 TRPV1 (0.39) TRPV1HSD11B1TRPA1RPS6KB1KDM4E
SCHEMBL26106571 0.80 TRPV1 (0.41) TRPV1HSD11B1TRPA1
SCHEMBL30591894 0.80 TEAD1 (0.49) TRPV1TRPA1RPS6KB1AKT1AKT2
SCHEMBL26107171 0.80 TEAD1 (0.49) TRPV1TRPA1RPS6KB1AKT1AKT2
SCHEMBL26110897 0.80 TEAD1 (0.49) TRPV1TRPA1RPS6KB1AKT1AKT2
SCHEMBL26106075 0.78 EPHX2 (0.48) TRPV1
SCHEMBL30591873 0.78 EPHX2 (0.48) TRPV1
SCHEMBL26103628 0.77 CNR2 (0.45) TRPV1HSD11B1TRPA1KDM4EGAA
SCHEMBL26105650 0.77 PDE10A (0.42) TRPV1TRPA1
SCHEMBL26107483 0.77 TRPV1 (0.46) TRPV1

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-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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