SCHEMBL31661968

SCHEMBL31661968

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCN4CCNC(=O)C4)cc3)c21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
THRB P10828 5/20 0.41
SCN9A Q15858 7/20 0.41
CHEK2 O96017 1/20 0.38
HTR3A P46098 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.36

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
SCHEMBL31661967 0.88 PRKAB2 (0.41) HRH3SCN9ACHEK2HTR3AHRH2
SCHEMBL31662175 0.84 HRH3 (0.47) HRH3THRBHTR2A
SCHEMBL31662002 0.83 SCN9A (0.37) HRH3SCN9ACHEK2HTR3AHRH2
SCHEMBL31662564 0.83 HRH2 (0.39) HRH3SCN9ACHEK2HTR3AHRH2
SCHEMBL31662052 0.81 SCN9A (0.38) HRH3SCN9ACHEK2HTR3A
SCHEMBL31662377 0.81 SCN9A (0.43) HRH3SCN9ACHEK2
SCHEMBL31662190 0.80 SMN1; SMN2 (0.42) SCN9ACHEK2HTR3A
SCHEMBL31662167 0.80 SCN9A (0.38) SCN9ACHEK2HTR3A
SCHEMBL31661975 0.79 CHEK2 (0.41) HRH3SCN9ACHEK2
SCHEMBL31662417 0.78 SCN9A (0.41) SCN9A

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