SCHEMBL31662425

SCHEMBL31662425

CCn1cncc1-c1cc(Oc2ccc(OCCCN3CC4CC(C3)O4)cc2)c2c(cnn2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
HTR3A P46098 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CXCR1 P25024 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL31661927 0.88 HRH3 (0.33) HRH3HTR3AKCNH2KDM4EMAOB
SCHEMBL31662373 0.85 KCNH2 (0.34) HTR3AKCNH2
SCHEMBL31662212 0.74 KCNH2 (0.34) HTR3AKCNH2
SCHEMBL31661940 0.72 HTR3A (0.32) HTR3A
SCHEMBL31662202 0.72 GSK3B (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL31661962 0.69 TTK (0.35) HTR6
SCHEMBL31662003 0.69 HRH3 (0.38) HRH3HTR3AKCNH2KDM4EMEN1
SCHEMBL31661923 0.65 TTK (0.38) HTR6
SCHEMBL31662158 0.64 NPBWR1 (0.34) RAB9A
SCHEMBL31662175 0.63 HRH3 (0.47) HRH3KCNH2LMNACYP1A2ALDH1A1

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