SCHEMBL9112815

SCHEMBL9112815

[CH]=C/C=C/CN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
LTA4H P09960 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2C P18825 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
SCHEMBL9112822 1.00 SIGMAR1 (0.38) SIGMAR1LTA4HHRH3CHRNB2CHRNB4
SCHEMBL9114626 0.98 SIGMAR1 (0.36) SIGMAR1LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL9114613 0.98 SIGMAR1 (0.36) SIGMAR1LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL23872301 0.79 HRH3 (0.43) SIGMAR1LTA4HHRH3CHRNB2CHRNB4
SCHEMBL7227482 0.79 HRH3 (0.43) SIGMAR1LTA4HHRH3CHRNB2CHRNB4
SCHEMBL10748748 0.79 HRH3 (0.43) SIGMAR1LTA4HHRH3CHRNB2CHRNB4
SCHEMBL9112160 0.77 HRH3 (0.41) SIGMAR1HRH3SMN1; SMN2CARM1PRMT6
SCHEMBL9112244 0.77 POLB (0.33) SIGMAR1SMN1; SMN2
SCHEMBL9112154 0.77 HRH3 (0.41) SIGMAR1HRH3SMN1; SMN2CARM1PRMT6
SCHEMBL22972376 0.76 SIGMAR1 (0.38) SIGMAR1LTA4HHRH3CHRNB2CHRNB4

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