SCHEMBL26618017

SCHEMBL26618017

O=C(O)c1cc2cc3c(cc2nc1N1CCCC(F)(F)CC1)OCO3

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ SCN10A Q9Y5Y9 17/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL30681901 1.00 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL26617935 0.84 SCN10A (0.39) SCN10A
SCHEMBL31345669 0.83 SCN10A (0.44) SCN10A
SCHEMBL26618095 0.83 SCN10A (0.44) SCN10A
SCHEMBL26617601 0.80 WHR1 (0.53) KDM4EALDH1A1GAAHPGDSCN10A
SCHEMBL26617837 0.80 SCN10A (0.40) ALDH1A1SCN10A
SCHEMBL26617697 0.80 SCN10A (0.40) ALDH1A1SCN10A
SCHEMBL26617769 0.80 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL31345642 0.79 SCN10A (0.42) SCN10A
SCHEMBL31345636 0.79 SCN10A (0.42) SCN10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
Send feedback