SCHEMBL31662006

SCHEMBL31662006

Cn1ncc2cc(C(=O)N3CCC3)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.43
HRH3 Q9Y5N1 14/20 0.42
KCNH2 Q12809 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
LRRK2 Q5S007 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL31662578 0.89 CD38 (0.37) GCKHRH3ALDH1A1MEN1KMT2A
SCHEMBL31662072 0.88 SCN9A (0.39) HRH3
SCHEMBL31662620 0.87 CD38 (0.40) HRH3LRRK2ALDH1A1MEN1KMT2A
SCHEMBL31662235 0.86 CD38 (0.39) GCKHRH3KCNH2
SCHEMBL31661893 0.83 SCN9A (0.38) GCKHRH3KCNH2
SCHEMBL31662085 0.83 SCN9A (0.38) GCKHRH3KCNH2
SCHEMBL31662230 0.81 CD38 (0.34) HRH3KCNH2CHRM2CHRM1LRRK2
SCHEMBL31662457 0.81 CD38 (0.34) HRH3KCNH2CHRM2CHRM1LRRK2
SCHEMBL31662035 0.80 SCN9A (0.39) HRH3ALDH1A1SMN1; SMN2
SCHEMBL31662231 0.79 ATM (0.38) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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