SCHEMBL31662406

SCHEMBL31662406

O=C1N(CC2COC2)CCN1c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
DRD2 P14416 8/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 7/20 0.39
DRD3 P35462 5/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL31662528 0.87 DRD2 (0.50) SCN9ADRD2RAB9AHDAC1DRD3
SCHEMBL31662444 0.75 RAB9A (0.47) DRD2RAB9AHDAC1DRD3KCNH2
SCHEMBL3135147 0.71 HDAC1 (0.67) DRD2RAB9AHDAC1DRD3
SCHEMBL10498451 0.71 KDM4E (0.49) DRD2RAB9AHDAC1DRD3
SCHEMBL31662551 0.70 DRD2 (0.48) SCN9ADRD2RAB9AHDAC1DRD3
SCHEMBL17138864 0.69 RAB9A (0.55) DRD2RAB9AHDAC1DRD3KCNH2
SCHEMBL31662370 0.69 ESR1 (0.32) DRD2
SCHEMBL3712107 0.69 S1PR1 (0.48) DRD2RAB9AHDAC1DRD3KCNH2
SCHEMBL8558181 0.68 S1PR1 (0.50) DRD2RAB9AHDAC1DRD3KCNH2
SCHEMBL19244580 0.68 ALDH1A1 (0.52) RAB9AHDAC1

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