SCHEMBL5027817

SCHEMBL5027817

O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 3/20 0.63
▸ CACNA1B Q00975 3/20 0.63
▸ CACNB1 Q02641 3/20 0.63
▸ CACNA1C Q13936 3/20 0.63
▸ KMT2A Q03164 6/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ ATM Q13315 1/20 0.60
▸ PKM P14618 1/20 0.59
▸ CACNA1G O43497 1/20 0.59
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ SLC6A9 P48067 1/20 0.56

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
SCHEMBL1691475 0.85 SLC6A9 (0.74) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL10930361 0.83 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL678935 0.82 KMT2A (0.57) KMT2AMEN1ATMGAAHTT
SCHEMBL4388744 0.81 ALDH1A1 (0.60) KMT2AMEN1NPSR1ATMLMNA
SCHEMBL10979461 0.80 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL4400416 0.79 SIGMAR1 (0.48) CACNA2D1CACNA1BCACNB1KMT2AMEN1
SCHEMBL14859945 0.79 LMNA (0.75) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL7278476 0.79 MEN1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
Hydrochloric Acid SCHEMBL10981330 0.79 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL4148742 0.79 KMT2A (0.59) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871372-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN Neuromed Pharmaceuticals, Ltd. (CA) 2008-01-02 — — EP claimed
WO-2006105670-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN NEUROMED PHARMACEUTICALS LTD. (CA) 2006-10-12 — — WO claimed
CN-103491964-A Solid dispersion formulations and methods of use thereof ZALICUS PHARMACEUTICALS LTD 2014-01-01 — — CN disclosed
EP-2654726-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF Zalicus Pharmaceuticals Ltd. (CA) 2013-10-30 — — EP disclosed
EP-2654726-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF Zalicus Pharmaceuticals Ltd. (CA) 2013-10-30 — — EP disclosed
WO-2012122279-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-13 — — WO disclosed
WO-2012122279-A1 SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-13 — — WO disclosed
WO-2012122274-A1 SELF-EMULSIFYING FORMULATIONS AND METHODS OF USE THEREOF ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-13 — — WO disclosed
Send feedback