SCHEMBL8580564

SCHEMBL8580564

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCCC1COc1cccc(C=C3SC(=N)NC3=O)c1)O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.46
ADAMTS5 Q9UNA0 2/20 0.41
MMP13 P45452 1/20 0.41
GPR119 Q8TDV5 2/20 0.37
FAAH O00519 2/20 0.37
IDH1 O75874 1/20 0.36
CNR1 P21554 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 2/20 0.35
GSK3B P49841 1/20 0.34
CNR2 P34972 3/20 0.33
GPR18 Q14330 2/20 0.33
PTPN1 P18031 1/20 0.33
ACP1 P24666 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
SCHEMBL6978665 0.94 CNR1 (0.43) XDHADAMTS5MMP13GPR119FAAH
SCHEMBL6978669 0.94 CNR1 (0.43) XDHADAMTS5MMP13GPR119FAAH
SCHEMBL6970447 0.88 HPGD (0.47) MMP13GPR119MEN1KMT2APTPN1
SCHEMBL6975793 0.88 HPGD (0.47) MMP13GPR119MEN1KMT2APTPN1
SCHEMBL6975305 0.88 HPGD (0.47) MMP13GPR119MEN1KMT2APTPN1
SCHEMBL6975790 0.88 HPGD (0.47) MMP13GPR119MEN1KMT2APTPN1
SCHEMBL6976209 0.87 FAAH (0.42) FAAHKCNH2MCHR1
SCHEMBL6976212 0.87 FAAH (0.42) FAAHKCNH2MCHR1
SCHEMBL8522115 0.81 XDH (0.45) XDHADAMTS5MMP13GPR119IDH1
SCHEMBL6964226 0.81 KCNH2 (0.38) FAAHMEN1KMT2AKCNH2MCHR1

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-0894089-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-03 EP disclosed
WO-1997041121-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed