SCHEMBL9112154

SCHEMBL9112154

[CH]=C/C=C/CCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
SIGMAR1 Q99720 3/20 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
SCHEMBL9112160 1.00 HRH3 (0.41) HRH3ALDH1A1MAPTPOLBTSHR
SCHEMBL9112010 0.98 HRH3 (0.37) HRH3ALDH1A1MAPTPOLBTSHR
SCHEMBL9112008 0.98 HRH3 (0.37) HRH3ALDH1A1MAPTPOLBTSHR
SCHEMBL9113701 0.79 POLB (0.39) ALDH1A1MAPTPOLBSMN1; SMN2SIGMAR1
SCHEMBL9113693 0.79 POLB (0.39) ALDH1A1MAPTPOLBSMN1; SMN2SIGMAR1
SCHEMBL29773386 0.78 HRH3 (0.41) HRH3ALDH1A1MAPTPOLBTSHR
SCHEMBL818010 0.78 HRH3 (0.41) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL9112822 0.77 SIGMAR1 (0.38) HRH3SMN1; SMN2CARM1PRMT6PRMT8
SCHEMBL9112815 0.77 SIGMAR1 (0.38) HRH3SMN1; SMN2CARM1PRMT6PRMT8
SCHEMBL819102 0.76 HRH3 (0.37) HRH3ALDH1A1MAPTPOLBL3MBTL1

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