SCHEMBL12460736

SCHEMBL12460736

CN(CCCOc1ccc(C#N)cc1)CCN(C)CCCOc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.53
MMP2 P08253 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MMP3 P08254 2/20 0.50
CACNA1H O95180 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 5/20 0.47
CYP19A1 P11511 1/20 0.47
LTA4H P09960 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46

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
Hydrochloric Acid SCHEMBL1715021 0.98 CACNA1B (0.52) CACNA1BMMP2ALDH1A1MMP3CACNA1H
SCHEMBL12461375 0.89 LSS (0.50) CACNA1BMMP2ALDH1A1MMP3CACNA1H
SCHEMBL492168 0.87 CACNA1B (0.66) CACNA1BMMP2ALDH1A1MMP3CACNA1H
SCHEMBL12461386 0.86 MMP2 (0.50) CACNA1BMMP2ALDH1A1MMP3CACNA1H
SCHEMBL12461916 0.86 CACNA1B (0.49) CACNA1BMMP2ALDH1A1MMP3CACNA1H
SCHEMBL4087894 0.81 HRH3 (0.59) CACNA1BMMP2ALDH1A1MMP3CACNA1H
SCHEMBL491657 0.81 KDM4E (0.55) CACNA1BKDM4EHRH3CYP19A1
SCHEMBL491881 0.81 KDM4E (0.64) CACNA1BMMP2ALDH1A1MMP3CACNA1H
SCHEMBL21601511 0.81 MMP2 (0.52) CACNA1BMMP2ALDH1A1MMP3MAPT
SCHEMBL491721 0.81 ATP4A (0.49) CACNA1BMMP2ALDH1A1MMP3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed