SCHEMBL6968083

SCHEMBL6968083

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCC[C@H]1CO)O2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 15/20 0.44
SPHK2 Q9NRA0 14/20 0.44
CD274 Q9NZQ7 2/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL6968088 1.00 SPHK1 (0.44) SPHK1SPHK2CD274MCHR1
SCHEMBL8472256 1.00 SPHK1 (0.44) SPHK1SPHK2CD274MCHR1
SCHEMBL6968086 1.00 SPHK1 (0.44) SPHK1SPHK2CD274MCHR1
SCHEMBL6963223 0.86 FAAH (0.39) MCHR1
SCHEMBL6964224 0.84 KCNH2 (0.38) MCHR1
SCHEMBL6969093 0.84 FAAH (0.46) SPHK1MCHR1
SCHEMBL6969090 0.84 FAAH (0.46) SPHK1MCHR1
SCHEMBL6964226 0.84 KCNH2 (0.38) MCHR1
SCHEMBL6976212 0.82 FAAH (0.42) SPHK1SPHK2MCHR1
SCHEMBL6976209 0.82 FAAH (0.42) SPHK1SPHK2MCHR1

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