SCHEMBL6973868

SCHEMBL6973868

CCOC(=O)C(Br)Cc1ccc(OC[C@@H]2CCCN2C[C@]2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 2/20 0.35
POLB P06746 1/20 0.34
FAAH O00519 4/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PSEN1 P49768 4/20 0.33
YAP1 P46937 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
SCHEMBL6969620 1.00 PPARG (0.38) PPARGCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL6963223 0.85 FAAH (0.39) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL6964224 0.84 KCNH2 (0.38) PPARGCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL6969090 0.84 FAAH (0.46) PPARGCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL6969093 0.84 FAAH (0.46) PPARGCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL6964226 0.84 KCNH2 (0.38) PPARGCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL6968023 0.83 CHRNB2 (0.37) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL6968026 0.83 CHRNB2 (0.37) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL6963241 0.82 FFAR1 (0.42) PPARGKCNH2MCHR1MEN1MAPT
SCHEMBL6962682 0.82 FFAR1 (0.42) PPARGKCNH2MCHR1MEN1MAPT

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