SCHEMBL26106571

SCHEMBL26106571

O=CC=CN1CCN(c2nccnc2-c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.41
▸ SMO Q99835 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL26106903 0.86 PDE10A (0.42) TRPV1HSD11B1PDE10ASLC6A7TRPA1
SCHEMBL26105650 0.82 PDE10A (0.42) TRPV1PDE10ATRPA1
SCHEMBL26107483 0.82 TRPV1 (0.46) TRPV1
SCHEMBL26105942 0.81 SMO (0.41) TRPV1SMOHSD11B1
SCHEMBL26103628 0.81 CNR2 (0.45) TRPV1HSD11B1SLC6A7TRPA1
SCHEMBL26106984 0.80 TRPV1 (0.39) TRPV1HSD11B1TRPA1
SCHEMBL26107780 0.80 TRPV1 (0.39) TRPV1HSD11B1TRPA1
SCHEMBL26104579 0.79 MAPT (0.41) TRPV1
SCHEMBL26107660 0.78 TRPV1 (0.49) TRPV1
SCHEMBL30591592 0.76 SLC6A7 (0.48) TRPV1SLC6A7TRPA1

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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