SCHEMBL4182909

SCHEMBL4182909

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 7/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
CACNA1A O00555 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNB1 Q02641 1/20 0.40
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4190042 0.87 ITGB3 (0.38) CACNA2D1CACNB1
SCHEMBL7660403 0.76 SIGMAR1 (0.48) SMN1; SMN2HPGDALDH1A1TSHRKDM4E
SCHEMBL8944872 0.75 KDM4E (0.40) ALDH1A1RAB9AKDM4ESLC6A2SLC6A3
SCHEMBL5265583 0.75 CACNA1A (0.56) SMN1; SMN2HPGDALDH1A1TSHRNPC1
SCHEMBL3306996 0.72 MAPT (0.39) ALDH1A1TSHRKDM4EGAA
SCHEMBL7801902 0.69 L3MBTL1 (0.54) ALDH1A1KDM4E
SCHEMBL5547616 0.69 CACNA2D1 (0.39) SMN1; SMN2HPGDALDH1A1TSHRNPC1
SCHEMBL337013 0.68 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1TSHRKDM4E
SCHEMBL29713916 0.68 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1TSHRKDM4E
SCHEMBL13954409 0.68 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1TSHRKDM4E

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 6 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
EP-1610792-A1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES Neuromed Technologies, Inc. (CA) 2006-01-04 EP disclosed
WO-2004089377-A1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed