SCHEMBL26104463

SCHEMBL26104463

C=CC(=O)N1CCN(c2nccnc2Oc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ BTK Q06187 3/20 0.41
▸ SCN9A Q15858 5/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ LIPE Q05469 1/20 0.37

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
SCHEMBL30591660 1.00 TRPV1 (0.41) TRPV1TRPA1BTKSCN9ASCN10A
SCHEMBL30591874 0.87 TRPV1 (0.52) TRPV1TRPA1BTKPDE10A
SCHEMBL30591764 0.87 TRPV1 (0.41) TRPV1TRPA1SCN9ASCN10APDE10A
SCHEMBL26105752 0.87 TRPV1 (0.41) TRPV1TRPA1SCN9ASCN10APDE10A
SCHEMBL30591828 0.86 TRPV1 (0.39) TRPV1TRPA1BTKPDE10AALDH1A1
SCHEMBL26109229 0.86 TRPV1 (0.39) TRPV1TRPA1BTKPDE10AALDH1A1
SCHEMBL30591705 0.84 BTK (0.45) TRPV1TRPA1BTKPDE10A
SCHEMBL26135830 0.84 BTK (0.45) TRPV1TRPA1BTKPDE10A
SCHEMBL30591799 0.83 SCN9A (0.42) SCN9APDE10ALIPE
SCHEMBL26108741 0.83 SCN9A (0.42) SCN9APDE10ALIPE

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