SCHEMBL26107764

SCHEMBL26107764

CC=CC(=O)N1CCN(c2nccnc2Nc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 15/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL30591853 1.00 TRPV1 (0.43) TRPV1MAPTCA12CA1CA2
SCHEMBL26106106 0.89 JAK2 (0.42) TRPV1
SCHEMBL30591650 0.89 JAK2 (0.42) TRPV1
SCHEMBL26106865 0.89 JAK2 (0.42) TRPV1
SCHEMBL30591860 0.89 JAK2 (0.42) TRPV1
SCHEMBL31474524 0.87 TRPV1 (0.53) TRPV1MAPT
SCHEMBL26105173 0.83 TRPV1 (0.44) TRPV1CA12CA1CA2CA9
SCHEMBL30591912 0.83 TRPV1 (0.44) TRPV1CA12CA1CA2CA9
SCHEMBL30591794 0.82 TRPV1 (0.45) TRPV1CA12CA1CA2CA9
SCHEMBL26108054 0.82 TRPV1 (0.45) TRPV1CA12CA1CA2CA9

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 claimed
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