SCHEMBL1029410

SCHEMBL1029410

CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.38
GNAI3 P08754 2/20 0.35
GNAO1 P09471 2/20 0.35
GNAI1 P63096 2/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD4 P21917 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL10579933 1.00 ACE2 (0.38) ACE2GNAI3GNAO1GNAI1CYP1A2
SCHEMBL10578535 1.00 ACE2 (0.38) ACE2GNAI3GNAO1GNAI1CYP1A2
SCHEMBL17833430 0.92 EPHX2 (0.33) ACE2
SCHEMBL11152516 0.87 HTR2A (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6
SCHEMBL8625776 0.87 HTR2A (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6
SCHEMBL17324939 0.87 HTR2A (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6
SCHEMBL1028581 0.87 HTR2A (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6
SCHEMBL4369115 0.87 HTR2A (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6
SCHEMBL7778398 0.87 HTR2A (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6
SCHEMBL9788447 0.87 HTR2A (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2196520-B1 Method of improving oil compositions INFINEUM INT LTD (GB) 2011-01-19 EP disclosed
EP-2196520-A1 Method of improving oil compositions Infineum International Limited (GB) 2010-06-16 EP disclosed
US-20100139153-A1 Method of Improving Oil Compositions INFINEUM INTERNATIONAL LIMITED (GB) 2010-06-10 US disclosed