SCHEMBL6963223

SCHEMBL6963223

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCCC1COc1ccc(N)cc1)O2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.39
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 2/20 0.38
HRH3 Q9Y5N1 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6969093 0.90 FAAH (0.46) FAAHKCNH2MCHR1HRH3CHRNB2
SCHEMBL6964224 0.90 KCNH2 (0.38) FAAHKCNH2MCHR1HRH3CHRNB2
SCHEMBL6964226 0.90 KCNH2 (0.38) FAAHKCNH2MCHR1HRH3CHRNB2
SCHEMBL6969090 0.90 FAAH (0.46) FAAHKCNH2MCHR1HRH3CHRNB2
SCHEMBL6968086 0.86 SPHK1 (0.44) MCHR1
SCHEMBL6968088 0.86 SPHK1 (0.44) MCHR1
SCHEMBL6968083 0.86 SPHK1 (0.44) MCHR1
SCHEMBL8472256 0.86 SPHK1 (0.44) MCHR1
SCHEMBL6973868 0.85 PPARG (0.38) FAAHKCNH2MCHR1CHRNB2CHRNA5
SCHEMBL6975790 0.85 HPGD (0.47) MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894089-B9 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-04-02 EP disclosed
EP-0894089-B1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2002-10-23 EP disclosed
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