SCHEMBL28057560

SCHEMBL28057560

CCCCN1CCCC1.CCCCN1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
GNAI3 P08754 3/20 0.48
GNAO1 P09471 3/20 0.48
GNAI1 P63096 3/20 0.48
LTA4H P09960 1/20 0.47
MAPT P10636 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLB1 P16278 1/20 0.44
ALDH1A1 P00352 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL172368 1.00
SCHEMBL4914238 1.00
Iodide SCHEMBL14953631 0.97 HRH3 (0.57) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL20733674 0.97 HRH3 (0.65) HRH3GNAI3GNAO1GNAI1LTA4H
Ammonia Solution, Strong SCHEMBL18987372 0.97 HRH3 (0.57) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL6506788 0.97 HRH3 (0.65) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL60452 0.97 HRH3 (0.65) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL6506197 0.97 HRH3 (0.65) HRH3GNAI3GNAO1GNAI1LTA4H
Hydrochloric Acid SCHEMBL557224 0.97 HRH3 (0.57) HRH3GNAI3GNAO1GNAI1LTA4H
Bromide SCHEMBL2191354 0.97 HRH3 (0.57) HRH3GNAI3GNAO1GNAI1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103124736-B Functionalized fluoroalkyl fluorophosphate salts MERCK PATENT GMBH (DE) 2016-05-11 CN disclosed