SCHEMBL25026089

SCHEMBL25026089

Cc1cnc(N2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
SCN10A Q9Y5Y9 7/20 0.36
OPRK1 P41145 4/20 0.36
TRPV3 Q8NET8 1/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
WHR1 P49842 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PDE2A O00408 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
SCHEMBL4137416 0.83 OPRK1 (0.42) SCN10AOPRK1PDE2A
SCHEMBL25943482 0.82 HRH3 (0.39) OPRK1PDE2A
SCHEMBL30412291 0.81 SIGMAR1 (0.37) SCN10ATRPV3SIGMAR1WHR1CYP11B1
SCHEMBL23623071 0.81 PIK3CA (0.37) SCN10ATRPV3SIGMAR1PIK3CAMTOR
SCHEMBL24215698 0.81 SIGMAR1 (0.37) SCN10ATRPV3SIGMAR1WHR1CYP11B1
SCHEMBL24215208 0.81 SCN10A (0.44) SCN10AOPRK1TRPV3SIGMAR1CYP11B1
SCHEMBL26608320 0.79 OPRK1 (0.53) SCN10AOPRK1
SCHEMBL30593144 0.79 OPRK1 (0.53) SCN10AOPRK1
SCHEMBL12240380 0.79 CHRNB2 (0.43)
SCHEMBL19145279 0.79 KDM4E (0.51) OPRK1CYP11B1CYP11B2

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-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 WO disclosed