SCHEMBL9111836

SCHEMBL9111836

[CH2]CC=CCCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR4 P61073 2/20 0.39
RAD52 P43351 1/20 0.38
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 5/20 0.34
KDM1A O60341 2/20 0.34
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KCNJ1 P48048 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL9111828 1.00 POLB (0.41) POLBSMN1; SMN2CXCR4RAD52HSD17B10
SCHEMBL9113900 0.81 POLB (0.42) POLBSMN1; SMN2CXCR4RAD52HSD17B10
SCHEMBL9113910 0.81 POLB (0.42) POLBSMN1; SMN2CXCR4RAD52HSD17B10
SCHEMBL9110726 0.80 HRH3 (0.39) POLBSMN1; SMN2SIGMAR1ALDH1A1MAPT
SCHEMBL9110730 0.80 HRH3 (0.39) POLBSMN1; SMN2SIGMAR1ALDH1A1MAPT
SCHEMBL9109433 0.78 HRH3 (0.42) POLBSMN1; SMN2HSD17B10SIGMAR1ALDH1A1
SCHEMBL9109428 0.78 HRH3 (0.42) POLBSMN1; SMN2HSD17B10SIGMAR1ALDH1A1
SCHEMBL28832350 0.77 SMN1; SMN2 (0.42) POLBSMN1; SMN2CXCR4RAD52HSD17B10
SCHEMBL136968 0.76 POLB (0.45) POLBSMN1; SMN2CXCR4RAD52HSD17B10
SCHEMBL4508116 0.75 POLB (0.48) POLBSMN1; SMN2CXCR4RAD52HSD17B10

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