SCHEMBL9112176

SCHEMBL9112176

[CH2]C=CCC1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
HRH4 Q9H3N8 2/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
EPHX1 P07099 1/20 0.36
KMT2A Q03164 2/20 0.34
EED O75530 4/20 0.33
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
APLNR P35414 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL9111756 0.88
SCHEMBL9111422 0.81 HRH3 (0.40) HRH3HRH4CPN1CPB2EPHX1
SCHEMBL11923025 0.80 KMT2A (0.37) HRH3HRH4CPN1CPB2EPHX1
SCHEMBL16767657 0.79 HRH3 (0.37) HRH3HRH4CPN1CPB2EPHX1
SCHEMBL606458 0.79
SCHEMBL27267360 0.78 HRH3 (0.36) HRH3HRH4CPN1CPB2EPHX1
SCHEMBL21400297 0.78 HRH3 (0.33) HRH3HRH4CPN1CPB2EPHX1
Hydrochloric Acid SCHEMBL31599906 0.78 HRH3 (0.39) HRH3HRH4CPN1CPB2EPHX1
SCHEMBL9112820 0.77 HRH3 (0.35) HRH3HRH4CPN1CPB2EPHX1
SCHEMBL23182722 0.76 HRH3 (0.34) HRH3HRH4CPN1CPB2EPHX1

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