SCHEMBL6021971

SCHEMBL6021971

CCCCCCCC(N)NCCCN

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
DNM1 Q05193 8/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
SPHK1 Q9NYA1 1/20 0.44
RRM1 P23921 1/20 0.42
OPRM1 P35372 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL28676201 0.94 GNAI3 (0.54) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL27428520 0.94 GNAI3 (0.54) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL7203944 0.94 GNAI3 (0.54) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL7205302 0.92 GNAI3 (0.51) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL28317962 0.90 SPHK1 (0.45) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL28985254 0.90 OPRM1 (0.46) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL28542120 0.90 OPRM1 (0.46) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL9163909 0.90 OPRM1 (0.46) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL9691923 0.90 OPRM1 (0.46) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL28196519 0.90 OPRM1 (0.46) GNAI3GNAO1GNAI1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1649857-A2 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2006-04-26 EP claimed
US-20050054650-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US claimed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO claimed