SCHEMBL31662549

SCHEMBL31662549

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCCN4CCNCC4)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.46
HRH1 P35367 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 2/20 0.41
HTR3A P46098 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PARP1 P09874 1/20 0.41
CHEK2 O96017 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39

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) ALDH1A1HRH3HTR3APRKAB2PRKAG1
SCHEMBL31662229 0.89 HRH3 (0.47) ALDH1A1HRH3PARP1EPHX2
SCHEMBL31662123 0.88 DRD3 (0.46) HRH2HRH1HRH3HTR3AEPHX2
SCHEMBL31661991 0.85 DRD2 (0.41) HRH2HRH1HTR3AIKBKBHTR1A
SCHEMBL31661875 0.84 SCN9A (0.40) CHEK2
SCHEMBL31662453 0.83 MKNK1 (0.39)
SCHEMBL31662511 0.82 SYK (0.38) KDM4E
SCHEMBL31662150 0.82 CCNC (0.43) ALDH1A1SMN1; SMN2HTR3AKDM4E
SCHEMBL31662354 0.81 SCN9A (0.38)
SCHEMBL31662493 0.81 L3MBTL1 (0.41)

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 1 patent. 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 disclosed