SCHEMBL24968796

SCHEMBL24968796

Nc1ccc(OCC2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
SCN5A Q14524 3/20 0.42
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
LRRK2 Q5S007 1/20 0.35
ACACB O00763 1/20 0.35
KDM1A O60341 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
SCHEMBL2546337 0.88 HTR2C (0.47) HTR2AHTR2CHTR2BTLR9TLR8
SCHEMBL22069559 0.85 PARP10 (0.45) HTR2AHTR2CHTR2B
SCHEMBL13419711 0.79 TLR9 (0.43) HTR2AHTR2BTLR9TLR8TLR7
SCHEMBL24968528 0.79 KDM4C (0.53) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL30152356 0.78 S1PR4 (0.48) SCN9ASCN5A
SCHEMBL24968797 0.77 SCN9A (0.43) SCN9ASCN5ALRRK2
SCHEMBL24969558 0.76 SCN9A (0.49) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL30152321 0.76 SCN9A (0.49) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL24074790 0.75 CYP3A4 (0.46)
SCHEMBL28844733 0.75 HTR2C (0.43) HTR2AHTR2CHTR2BTLR9TLR8

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed