SCHEMBL4190042

SCHEMBL4190042

O=C(O)C1CN(C(=O)CC(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CACNA1G O43497 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CACNA2D1 P54289 3/20 0.34
CACNA1B Q00975 3/20 0.34
CACNB1 Q02641 3/20 0.34
CACNA1C Q13936 1/20 0.34
CHRM3 P20309 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
SCHEMBL4182909 0.87 SMN1; SMN2 (0.45) CACNA2D1CACNB1
SCHEMBL27799875 0.69 SIGMAR1 (0.58)
SCHEMBL30451454 0.69 AGTR2 (0.58)
SCHEMBL334587 0.68 MAPT (0.40) MAPT
Toluene SCHEMBL3090911 0.67 MAPT (0.39) MAPT
SCHEMBL2818794 0.66 SMN1; SMN2 (0.58)
Acetic Acid SCHEMBL7386447 0.66 AGTR2 (0.54)
SCHEMBL5872543 0.66 SMN1; SMN2 (0.58)
SCHEMBL1485691 0.66 SMN1; SMN2 (0.58)
Acetic Acid SCHEMBL7386453 0.66 AGTR2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019676-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-04 EP claimed
WO-2007133481-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-11-22 WO claimed
EP-2019676-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-04 EP disclosed
WO-2007133481-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-11-22 WO disclosed