SCHEMBL9109433

SCHEMBL9109433

[CH2]CC=CCCN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9109428 1.00 HRH3 (0.42) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL9110726 0.98 HRH3 (0.39) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL9110730 0.98 HRH3 (0.39) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL9111421 0.79 HRH3 (0.44) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL9111427 0.79 HRH3 (0.44) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL9111828 0.78 POLB (0.41) ALDH1A1MAPTPOLBSMN1; SMN2SIGMAR1
SCHEMBL9111836 0.78 POLB (0.41) ALDH1A1MAPTPOLBSMN1; SMN2SIGMAR1
SCHEMBL9111941 0.76 HRH3 (0.40) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL9111952 0.76 HRH3 (0.40) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL818010 0.76 HRH3 (0.41) HRH3LMNAALDH1A1MAPTPOLB

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-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed