SCHEMBL8207140

SCHEMBL8207140

[CH2]C1COc2ccc(C#N)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
FFAR1 O14842 2/20 0.39
DRD2 P14416 8/20 0.39
DRD3 P35462 8/20 0.39
PTGS2 P35354 1/20 0.36
P2RY6 Q15077 1/20 0.35
HCRTR2 O43614 1/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
RIPK1 Q13546 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8207143 0.80 DRD2 (0.42) DAOFFAR1DRD2DRD3PTGS2
SCHEMBL15864968 0.76 FFAR1 (0.47) DAOFFAR1DRD2DRD3MAPT
SCHEMBL17272684 0.76 FFAR1 (0.47) DAOFFAR1DRD2DRD3MAPT
SCHEMBL15865467 0.76 FFAR1 (0.49) DAOFFAR1DRD2DRD3PTGS2
SCHEMBL6738922 0.76 FFAR1 (0.49) DAOFFAR1DRD2DRD3PTGS2
SCHEMBL26750469 0.76 FFAR1 (0.49) DAOFFAR1DRD2DRD3MAPT
SCHEMBL5917859 0.76 FFAR1 (0.49) DAOFFAR1DRD2DRD3MAPT
SCHEMBL15865348 0.76 FFAR1 (0.49) DAOFFAR1DRD2DRD3PTGS2
SCHEMBL15864965 0.76 FFAR1 (0.47) DAOFFAR1DRD2DRD3MAPT
SCHEMBL1877574 0.74 CA2 (0.48) DAOFFAR1DRD2DRD3

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-2000058301-A1 N-[2-(4-AMINOPHYL)ETHYL]-2,3-DIHYDRO-1,4-BENZODIOXINE-2-METHANAMINE, PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed