SCHEMBL9112010

SCHEMBL9112010

[CH]=CC=CCCN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9112008 1.00 HRH3 (0.37) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL9112154 0.98 HRH3 (0.41) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL9112160 0.98 HRH3 (0.41) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL9113701 0.81 POLB (0.39) SIGMAR1ALDH1A1MAPTPOLB
SCHEMBL9113693 0.81 POLB (0.39) SIGMAR1ALDH1A1MAPTPOLB
SCHEMBL819102 0.77 HRH3 (0.37) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL9114613 0.76 SIGMAR1 (0.36) CARM1PRMT6PRMT8SIGMAR1
SCHEMBL9114626 0.76 SIGMAR1 (0.36) CARM1PRMT6PRMT8SIGMAR1
SCHEMBL818010 0.76 HRH3 (0.41) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL29773386 0.76 HRH3 (0.41) HRH3CARM1PRMT6PRMT8ALDH1A1

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