SCHEMBL9302817

SCHEMBL9302817

CNC(C1CCN(Cc2cccc(Cl)c2)CC1)C1COc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.53
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
MAPK1 P28482 1/20 0.45
XIAP P98170 1/20 0.45
LTA4H P09960 10/20 0.43
HTR1A P08908 1/20 0.43
CXCR4 P61073 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL9301121 0.89 ACHE (0.45) AIMP2MAPTSIGMAR1MAPK1LTA4H
SCHEMBL9301593 0.87 SIGMAR1 (0.48) MAPTKDM4EALDH1A1SIGMAR1LTA4H
SCHEMBL9303117 0.86 LTA4H (0.48) MAPTMAPK1LTA4H
SCHEMBL9302778 0.86 SIGMAR1 (0.46) MAPTKDM4EALDH1A1GAASIGMAR1
SCHEMBL9302452 0.84 KDM4E (0.44) AIMP2MAPTKDM4EALDH1A1GLA
SCHEMBL9300946 0.83 NPC1 (0.52) KDM4EALDH1A1SIGMAR1LTA4H
SCHEMBL9301653 0.80 ACHE (0.47) MAPTALDH1A1SIGMAR1MAPK1LTA4H
SCHEMBL9301986 0.79 CYP2D6 (0.46) ALDH1A1L3MBTL1
SCHEMBL9302321 0.79 ATM (0.42) MAPTKDM4EALDH1A1ATMSIGMAR1
SCHEMBL9301861 0.75 BACE1 (0.49) ALDH1A1CXCR4DRD2DRD4DRD3

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