SCHEMBL9111689

SCHEMBL9111689

[CH2]/C=C/CCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
CXCR4 P61073 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9111692 1.00 HRH3 (0.48) HRH3MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL9111952 0.86 HRH3 (0.40) HRH3MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL9111941 0.86 HRH3 (0.40) HRH3MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL9111421 0.84 HRH3 (0.44) HRH3MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL9111427 0.84 HRH3 (0.44) HRH3MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL9111090 0.81 CXCR4 (0.47) HRH3SMN1; SMN2CYP1A2SIGMAR1CXCR4
SCHEMBL9111102 0.81 CXCR4 (0.47) HRH3SMN1; SMN2CYP1A2SIGMAR1CXCR4
SCHEMBL21862177 0.77 HRH3 (0.48) HRH3MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL14647779 0.76 HRH3 (0.52) HRH3MAPTSMN1; SMN2CYP1A2MAPK1
SCHEMBL19048499 0.74 HRH3 (0.56) HRH3MAPTSMN1; SMN2CYP1A2MAPK1

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