SCHEMBL26105752

SCHEMBL26105752

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ SCN9A Q15858 8/20 0.39
▸ SCN10A Q9Y5Y9 3/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30591764 1.00 TRPV1 (0.41) TRPV1TRPA1SCN9ASCN10APDE10A
SCHEMBL26104463 0.87 TRPV1 (0.41) TRPV1TRPA1SCN9ASCN10APDE10A
SCHEMBL30591660 0.87 TRPV1 (0.41) TRPV1TRPA1SCN9ASCN10APDE10A
SCHEMBL26106899 0.86 TRPV1 (0.39) TRPV1TRPA1PDE10AALDH1A1
SCHEMBL30591749 0.86 TRPV1 (0.39) TRPV1TRPA1PDE10AALDH1A1
SCHEMBL30591823 0.82 SCN9A (0.42) SCN9ASCN10APDE10A
SCHEMBL26108593 0.82 SCN9A (0.42) SCN9ASCN10APDE10A
SCHEMBL26105333 0.79 PDE10A (0.37) SCN9ASCN10APDE10A
SCHEMBL30591723 0.79 PDE10A (0.42) SCN9APDE10A
SCHEMBL30591932 0.78 EPHX2 (0.47) SCN9ASCN10APDE10A

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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