SCHEMBL6160941

SCHEMBL6160941

O=C(CCCCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.69
CACNA2D1 P54289 7/20 0.65
CACNB1 Q02641 7/20 0.65
CACNA1B Q00975 6/20 0.65
CACNA1C Q13936 4/20 0.65
CACNA1H O95180 1/20 0.65
ALDH1A1 P00352 2/20 0.60
USP2 O75604 1/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 1/20 0.59
CACNA1A O00555 1/20 0.59
KMT2A Q03164 1/20 0.57

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
SCHEMBL6162758 0.86 CACNA1G (0.85) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3301602 0.85 GPX4 (0.75) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3954648 0.82 CACNA1G (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1377935 0.81 CACNA1G (0.60) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL12150956 0.81 CACNA1G (0.60) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1374070 0.80 CACNA1G (0.59) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL12431993 0.80 CACNA1G (0.59) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3962967 0.79 CACNA1G (0.77) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
Z160 SCHEMBL4180792 0.79 CACNA2D1 (1.00) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4778556 0.79 CACNA2D1 (0.72) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C

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-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 EP disclosed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 US disclosed
EP-1060163-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-12-20 EP disclosed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed