SCHEMBL31661971

SCHEMBL31661971

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCN4C5COCC4C5)cc3F)c21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.36
OPRM1 P35372 5/20 0.35
OPRD1 P41143 5/20 0.35
HRH3 Q9Y5N1 5/20 0.34
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
STING1 Q86WV6 1/20 0.31
AR P10275 1/20 0.31
OPRK1 P41145 4/20 0.31

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
SCHEMBL31662267 0.90 SCN9A (0.34) SCN9AOPRM1OPRD1HRH3STING1
SCHEMBL31662003 0.85 HRH3 (0.38) SCN9AHRH3
SCHEMBL31662603 0.84 SCN9A (0.38) SCN9AOPRM1OPRD1FFAR1PPARG
SCHEMBL31661921 0.83 TLR7 (0.42) HRH3
SCHEMBL31662522 0.83 SCN9A (0.36) SCN9AOPRM1OPRD1STING1OPRK1
SCHEMBL31662015 0.83 SCN9A (0.36) SCN9AOPRM1OPRD1STING1OPRK1
SCHEMBL31661963 0.83 SCN9A (0.36) SCN9AOPRM1OPRD1STING1OPRK1
SCHEMBL31662240 0.83 SCN9A (0.35) SCN9AOPRM1OPRD1HRH3STING1
SCHEMBL31661947 0.83 SCN9A (0.36) SCN9AOPRM1OPRD1HRH3OPRK1
SCHEMBL31662381 0.82 SCN9A (0.37) SCN9AFFAR1PPARGPPARDAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed