SCHEMBL26731562

SCHEMBL26731562

C=C(C)c1cc2ccc(C(F)(F)F)cc2nc1N1CCCC(F)(F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 17/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL26617671 0.87 SCN10A (0.44) SCN10A
SCHEMBL26730689 0.86 SCN10A (0.38) SCN10A
SCHEMBL26617491 0.83 THRB (0.44) SCN10AKDM4E
SCHEMBL26732782 0.81 SCN10A (0.43) SCN10A
SCHEMBL26618013 0.79 SCN10A (0.44) SCN10A
SCHEMBL30681976 0.77 SCN10A (0.53) SCN10A
SCHEMBL26617785 0.75 OPRK1 (0.47) SCN10AKDM4ETSHR
SCHEMBL26617697 0.73 SCN10A (0.40) SCN10A
SCHEMBL26731348 0.72 SCN10A (0.37) SCN10A
SCHEMBL26617794 0.72 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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