SCHEMBL6968023

SCHEMBL6968023

CCOC(=O)C(Br)Cc1ccc(OC[C@@H]2CCCN2CC2c3c(C)c(OCc4ccccc4)c(C)c(C)c3OC2(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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 2/20 0.37
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 2/20 0.35
POLB P06746 1/20 0.35
FAAH O00519 3/20 0.34
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 2/20 0.33
MMEL1 Q495T6 1/20 0.33
MAPT P10636 1/20 0.33
EGFR P00533 2/20 0.33
YAP1 P46937 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6968026 1.00 CHRNB2 (0.37) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL6963231 0.85 FAAH (0.40) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL6963235 0.85 FAAH (0.40) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL8522230 0.84 KCNH2 (0.39) CHRNB2CHRNA5CHRNA7CHRNA4KCNH2
SCHEMBL6976242 0.84 FAAH (0.46) CHRNB2CHRNA5CHRNA7CHRNA4KCNH2
SCHEMBL6976244 0.84 FAAH (0.46) CHRNB2CHRNA5CHRNA7CHRNA4KCNH2
SCHEMBL6969620 0.83 PPARG (0.38) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL6973868 0.83 PPARG (0.38) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
SCHEMBL6963243 0.82 FFAR1 (0.42) KCNH2MCHR1HRH3MAPT
SCHEMBL6967119 0.82 FFAR1 (0.42) KCNH2MCHR1HRH3MAPT

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