SCHEMBL9301121

SCHEMBL9301121

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LTA4H P09960 9/20 0.42
HTR1A P08908 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
BCHE P06276 1/20 0.41
CXCR4 P61073 1/20 0.41
DRD4 P21917 2/20 0.41
AIMP2 Q13155 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
SCHEMBL9302817 0.89 AIMP2 (0.53) MAPTMAPK1LTA4HHTR1ASIGMAR1
SCHEMBL9303117 0.89 LTA4H (0.48) MAPTMAPK1LTA4H
SCHEMBL9301593 0.87 SIGMAR1 (0.48) MAPTLTA4HHTR1ASIGMAR1DRD4
SCHEMBL9302778 0.87 SIGMAR1 (0.46) MAPTMAPK1LTA4HSIGMAR1DRD4
SCHEMBL9301861 0.86 BACE1 (0.49) ACHEBACE1BCHECXCR4DRD4
SCHEMBL9300946 0.83 NPC1 (0.52) ACHELTA4HSIGMAR1BCHE
SCHEMBL9301877 0.83 BACE1 (0.43) ACHEBACE1BCHECXCR4DRD4
SCHEMBL9301653 0.82 ACHE (0.47) ACHEMAPTMAPK1LTA4HHTR1A
SCHEMBL9302321 0.80 ATM (0.42) MAPTMAPK1LTA4HSIGMAR1
SCHEMBL9302303 0.78 EPHX2 (0.47)

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