SCHEMBL31662444

SCHEMBL31662444

CCN1CCN(c2ccc(O)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
HDAC1 Q13547 8/20 0.47
DRD2 P14416 6/20 0.47
DRD3 P35462 5/20 0.47
S1PR1 P21453 1/20 0.45
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL10498451 0.94 KDM4E (0.49) RAB9AHDAC1DRD2DRD3S1PR1
SCHEMBL10498437 0.84 RAB9A (0.49) RAB9AHDAC1DRD2DRD3S1PR1
SCHEMBL14734297 0.84 DRD2 (0.63) RAB9AHDAC1DRD2DRD3S1PR1
SCHEMBL14734298 0.83 DRD2 (0.61) RAB9AHDAC1DRD2DRD3KCNH2
SCHEMBL13179111 0.83 RAB9A (0.55) RAB9AHDAC1DRD2DRD3S1PR1
SCHEMBL18937416 0.83 RAB9A (0.69) RAB9AHDAC1DRD2DRD3S1PR1
SCHEMBL8393737 0.82 RAB9A (0.64) RAB9AHDAC1DRD2DRD3MEN1
SCHEMBL3712107 0.82 S1PR1 (0.48) RAB9AHDAC1DRD2DRD3S1PR1
SCHEMBL14734293 0.80 HDAC1 (0.56) RAB9AHDAC1DRD2DRD3NPC1
SCHEMBL31662551 0.80 DRD2 (0.48) RAB9AHDAC1DRD2DRD3S1PR1

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