SCHEMBL31661956

SCHEMBL31661956

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCN4CC5CCC4CO5)cc3F)c21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.35
SCN9A Q15858 5/20 0.34
OPRM1 P35372 5/20 0.32
OPRD1 P41143 5/20 0.32
OPRK1 P41145 5/20 0.32
HTR3A P46098 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
SCHEMBL31662468 0.84 HTR3A (0.33) HRH3SCN9AHTR3A
SCHEMBL31662003 0.83 HRH3 (0.38) HRH3SCN9AHTR3A
SCHEMBL31661971 0.83 SCN9A (0.36) HRH3SCN9AOPRM1OPRD1OPRK1
SCHEMBL31661921 0.81 TLR7 (0.42) HRH3HTR3A
SCHEMBL31662240 0.81 SCN9A (0.35) HRH3SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662603 0.81 SCN9A (0.38) SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662138 0.80 DRD4 (0.43) HRH3
SCHEMBL31661963 0.80 SCN9A (0.36) SCN9AOPRM1OPRD1OPRK1
SCHEMBL31662522 0.80 SCN9A (0.36) SCN9AOPRM1OPRD1OPRK1
SCHEMBL31661947 0.80 SCN9A (0.36) HRH3SCN9AOPRM1OPRD1OPRK1

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