SCHEMBL3864845

SCHEMBL3864845

CC(C)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
CACNA2D1 P54289 10/20 0.53
CACNA1B Q00975 10/20 0.53
CACNB1 Q02641 10/20 0.53
CACNA1C Q13936 9/20 0.53
CACNA1H O95180 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CACNA1G O43497 3/20 0.47

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
SCHEMBL8445788 0.92 FAAH (0.61) FAAHCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5076791 0.82 CACNA2D1 (0.75) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL10037140 0.82 ACHE (0.61) FAAHKDM4EALDH1A1MEN1KMT2A
SCHEMBL16673587 0.76 FAAH (0.71) FAAHKDM4EALDH1A1LMNAMEN1
SCHEMBL5079984 0.74 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL26330969 0.73 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL18704998 0.72 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL18705047 0.71 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3860589 0.71 CACNA2D1 (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL26715447 0.71 MEN1 (0.65) FAAHKDM4EALDH1A1TSHRMEN1

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-1670775-A4 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-04-22 EP claimed
JP-2007504174-A 2007-03-01 JP claimed
EP-1670775-A1 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-06-21 EP claimed
WO-2005021523-A1 PIPERAZINE SUBSTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2005-03-10 WO claimed