SCHEMBL31662528

SCHEMBL31662528

O=C1N(CC2CC2)CCN1c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.50
RAB9A P51151 2/20 0.44
HDAC1 Q13547 6/20 0.41
DRD3 P35462 7/20 0.40
SCN9A Q15858 1/20 0.40
KCNH2 Q12809 2/20 0.40
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31662406 0.87 SCN9A (0.43) DRD2RAB9AHDAC1DRD3SCN9A
SCHEMBL18361665 0.80 CA1 (0.48) DRD2RAB9A
SCHEMBL31662444 0.79 RAB9A (0.47) DRD2RAB9AHDAC1DRD3KCNH2
SCHEMBL3135147 0.74 HDAC1 (0.67) DRD2RAB9AHDAC1DRD3CYP2D6
SCHEMBL10498451 0.74 KDM4E (0.49) DRD2RAB9AHDAC1DRD3
SCHEMBL31662551 0.73 DRD2 (0.48) DRD2RAB9AHDAC1DRD3SCN9A
SCHEMBL31662436 0.72 F10 (0.43) RAB9ASCN9AESR1ESR2MEN1
SCHEMBL3712107 0.72 S1PR1 (0.48) DRD2RAB9AHDAC1DRD3KCNH2
SCHEMBL8558181 0.71 S1PR1 (0.50) DRD2RAB9AHDAC1DRD3KCNH2
SCHEMBL19244580 0.71 ALDH1A1 (0.52) RAB9AHDAC1ESR1ESR2MEN1

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