SCHEMBL9112308

SCHEMBL9112308

[CH2]CCCCc1nccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.43
ACHE P22303 1/20 0.43
CYP2A6 P11509 1/20 0.43
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 3/20 0.38
PLG P00747 1/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
CYP3A4 P08684 3/20 0.35

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
SCHEMBL282759 0.95 PLAU (0.44) PLAUACHECYP2A6F12NCF1
SCHEMBL3250398 0.91 PLAU (0.50) PLAUACHECYP2A6F12NCF1
SCHEMBL18154032 0.89 PLAU (0.48) PLAUACHECYP2A6F12NCF1
Bromide SCHEMBL18154039 0.87 PLAU (0.47) PLAUACHECYP2A6F12NCF1
Hydrochloric Acid SCHEMBL11152119 0.87 PLAU (0.47) PLAUACHECYP2A6F12NCF1
SCHEMBL731893 0.87 PLAU (0.47) PLAUACHECYP2A6F12NCF1
SCHEMBL3248709 0.87 PLAU (0.50) PLAUACHECYP2A6F12NCF1
SCHEMBL29986248 0.87 PLAU (0.50) PLAUACHECYP2A6F12NCF1
SCHEMBL31122674 0.85 PLAU (0.48) PLAUACHECYP2A6F12NCF1
SCHEMBL9599037 0.83 KDM4E (0.56) PLAUACHECYP2A6F12NCF1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
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
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed