SCHEMBL9302452

SCHEMBL9302452

CNC(C1CCN(Cc2cccc(Cl)c2)CC1)C1CSc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
CXCR4 P61073 1/20 0.41
DRD4 P21917 5/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 2/20 0.40
AIMP2 Q13155 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
TP53 P04637 1/20 0.38
OPRM1 P35372 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
SCHEMBL9301877 0.90 BACE1 (0.43) CXCR4DRD4DRD2DRD3
SCHEMBL9302546 0.87 SIGMAR1 (0.46) KDM4EALDH1A1MAPTSIGMAR1DRD4
SCHEMBL9302817 0.84 AIMP2 (0.53) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL9302183 0.80 CYP2D6 (0.44) ALDH1A1L3MBTL1TP53
SCHEMBL9302459 0.76 CXCR4 (0.54) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL9302484 0.73 NISCH (0.39) TP53
SCHEMBL9301121 0.73 ACHE (0.45) MAPTSIGMAR1CXCR4DRD4AIMP2
SCHEMBL9301593 0.71 SIGMAR1 (0.48) KDM4EALDH1A1MAPTSIGMAR1DRD4
SCHEMBL9301861 0.71 BACE1 (0.49) ALDH1A1CXCR4DRD4DRD2DRD3
SCHEMBL9301890 0.70 L3MBTL1 (0.46) KDM4EALDH1A1MAPTHTTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed