SCHEMBL31662003

SCHEMBL31662003

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCN4CC5CC(C4)O5)cc3F)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.38
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 5/20 0.35
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
ATF4 P18848 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL31662138 0.87 DRD4 (0.43) HRH3DRD4SIGMAR1
SCHEMBL31661921 0.87 TLR7 (0.42) HRH3HRH4ALDH1A1ATF4HTR3A
SCHEMBL31661971 0.85 SCN9A (0.36) HRH3SCN9A
SCHEMBL31662603 0.85 SCN9A (0.38) SCN9A
SCHEMBL31662025 0.83 PRKAB2 (0.37) HRH3SCN9AATF4HTR3A
SCHEMBL31661956 0.83 HRH3 (0.35) HRH3SCN9AHTR3A
SCHEMBL31662381 0.82 SCN9A (0.37) SCN9A
SCHEMBL31662068 0.82 CYP11B2 (0.36) HRH3KDM4ESCN9AALDH1A1HTR3A
SCHEMBL31661947 0.82 SCN9A (0.36) HRH3SCN9A
SCHEMBL31662267 0.81 SCN9A (0.34) HRH3SCN9A

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