SCHEMBL26105097

SCHEMBL26105097

O=CC=CN1CCC(c2ncccc2Oc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ SCN9A Q15858 4/20 0.35
▸ TRPV1 Q8NER1 3/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ P2RY1 P47900 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ TRPC6 Q9Y210 1/20 0.32

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
SCHEMBL26107789 0.86 SCN9A (0.35) LIPESCN9AALOX5APFEN1
SCHEMBL26107318 0.85 SCN9A (0.37) CHRM4LIPESCN9ATRPV1TRPC6
SCHEMBL26105935 0.85 HTR1A (0.41) —
SCHEMBL26106392 0.81 SCN9A (0.36) LIPESCN9AFPR1FPR2
SCHEMBL26106644 0.80 LIPE (0.42) CHRM4LIPESCN9ATRPV1TRPC6
SCHEMBL31474518 0.78 SLC6A2 (0.47) SCN9A
SCHEMBL30591858 0.78 SCN9A (0.41) CHRM4LIPESCN9ATRPV1FPR1
SCHEMBL26108335 0.77 FAAH (0.43) TRPV1
SCHEMBL26112177 0.77 PDE10A (0.37) LIPESCN9AFPR1FPR2ALOX5AP
SCHEMBL26107010 0.76 FAAH (0.44) TRPV1

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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