SCHEMBL26108503

SCHEMBL26108503

O=CC=CN1CCN(c2nccnc2Oc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ SCN10A Q9Y5Y9 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
SCHEMBL26105650 0.87 PDE10A (0.42) PDE10ATRPV1
SCHEMBL26108261 0.86 PDE10A (0.35) PDE10A
SCHEMBL26105644 0.84 PDE10A (0.41) PDE10ATRPV1
SCHEMBL26105333 0.84 PDE10A (0.37) PDE10ASCN9ASCN10A
SCHEMBL26107789 0.82 SCN9A (0.35) PDE10ASCN9A
SCHEMBL26107722 0.80 HRH4 (0.44) PDE10A
SCHEMBL26106840 0.80 PDE10A (0.41) PDE10A
SCHEMBL26103135 0.80 PDE10A (0.41) PDE10ATRPV1
SCHEMBL30591660 0.79 TRPV1 (0.41) PDE10ATRPV1SCN9ASCN10A
SCHEMBL26104463 0.79 TRPV1 (0.41) PDE10ATRPV1SCN9ASCN10A

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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