SCHEMBL9112820

SCHEMBL9112820

[CH]=CC=CCC1CCCNC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
HRH4 Q9H3N8 2/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.32
EED O75530 4/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL23182722 0.80 HRH3 (0.34) HRH3HRH4CPN1CPB2KMT2A
SCHEMBL21400297 0.79 HRH3 (0.33) HRH3HRH4CPN1CPB2KMT2A
SCHEMBL7755214 0.78
SCHEMBL7755205 0.78
SCHEMBL9112176 0.77 HRH3 (0.37) HRH3HRH4CPN1CPB2KMT2A
SCHEMBL11923025 0.77 KMT2A (0.37) HRH3HRH4CPN1CPB2KMT2A
SCHEMBL6022128 0.76
SCHEMBL7758392 0.76 ADH1B (0.32)
SCHEMBL7759079 0.76 ADH1B (0.32)
SCHEMBL7758393 0.76 ADH1B (0.32)

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