SCHEMBL31662229

SCHEMBL31662229

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCCN4CCOCC4)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
AR P10275 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TBK1 Q9UHD2 1/20 0.45
PARP1 P09874 1/20 0.45
DHODH Q02127 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL31662153 0.91 IKBKB (0.46) HRH3ALDH1A1USP2PARP1
SCHEMBL31662549 0.89 HRH2 (0.46) HRH3ALDH1A1PARP1EPHX2
SCHEMBL31662123 0.88 DRD3 (0.46) HRH3SIGMAR1EPHX2
SCHEMBL31661959 0.87 GAA (0.52) MAPK1ALDH1A1CYP1A2ARUSP2
SCHEMBL31662061 0.87 PRKAB2 (0.44) HRH3ARTBK1PARP1
SCHEMBL31662042 0.85 IRAK4 (0.41) HRH3ARTBK1
SCHEMBL31662285 0.85 FKBP1A (0.50) ALDH1A1KCNH2USP2LMNAPARP1
SCHEMBL31661995 0.85 PDK2 (0.38) ARTBK1
SCHEMBL31661929 0.85 IRAK4 (0.37) HRH3ARTBK1BMPR1BBMPR1A
SCHEMBL31662453 0.83 MKNK1 (0.39) AR

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