SCHEMBL6969090

SCHEMBL6969090

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCCC1COc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.46
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 2/20 0.38
SPHK1 Q9NYA1 1/20 0.37
PPARG P37231 1/20 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
HRH3 Q9Y5N1 1/20 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
SCHEMBL6969093 1.00 FAAH (0.46) FAAHCHRNB4CHRNA3KCNH2MCHR1
SCHEMBL6963223 0.90 FAAH (0.39) FAAHKCNH2MCHR1CHRNB2CHRNA5
SCHEMBL6964224 0.89 KCNH2 (0.38) FAAHKCNH2MCHR1PPARGCHRNB2
SCHEMBL6964226 0.89 KCNH2 (0.38) FAAHKCNH2MCHR1PPARGCHRNB2
SCHEMBL6976209 0.84 FAAH (0.42) FAAHCHRNB4CHRNA3KCNH2MCHR1
SCHEMBL6976212 0.84 FAAH (0.42) FAAHCHRNB4CHRNA3KCNH2MCHR1
SCHEMBL6973868 0.84 PPARG (0.38) FAAHKCNH2MCHR1PPARGCHRNB2
SCHEMBL6969620 0.84 PPARG (0.38) FAAHKCNH2MCHR1PPARGCHRNB2
SCHEMBL6975790 0.84 HPGD (0.47)
SCHEMBL6970447 0.84 HPGD (0.47)

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