SCHEMBL24969549

SCHEMBL24969549

CC(C)(C)OC(=O)Nc1ccc(OCC2CCC(F)(F)CC2)c2ocnc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.35
▸ SCN5A Q14524 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FSHR P23945 1/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ CNR2 P34972 9/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ANO1 Q5XXA6 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
SCHEMBL30152244 1.00 SCN9A (0.35) SCN9ASCN5ATSHRFSHRKDM5A
SCHEMBL24969039 0.83 MAPK3 (0.38) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL30152334 0.83 MAPK3 (0.38) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL24969532 0.75 KDM5A (0.40) SCN9ASCN5ATSHRFSHRKDM5A
SCHEMBL24969547 0.74 KDM5A (0.35) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL30152285 0.74 KDM5A (0.35) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL24969545 0.74 KDM5A (0.35) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL30152345 0.74 KDM5A (0.35) SCN9ASCN5AKDM5AKDM4CKDM5B
SCHEMBL16738632 0.68 MRGPRX1 (0.52) TSHR
SCHEMBL14805178 0.66 NR1H4 (0.45) CNR2

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
Send feedback