SCHEMBL6963231

SCHEMBL6963231

Cc1c(C)c2c(c(C)c1OCc1ccccc1)C(CN1CCC[C@H]1COc1ccc(N)cc1)C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.40
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
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL6963235 1.00 FAAH (0.40) FAAHKCNH2MCHR1HRH3CHRNB2
SCHEMBL8522230 0.90 KCNH2 (0.39) FAAHKCNH2MCHR1HRH3CHRNB2
SCHEMBL6976242 0.89 FAAH (0.46) FAAHKCNH2MCHR1CHRNB2CHRNA5
SCHEMBL6976244 0.89 FAAH (0.46) FAAHKCNH2MCHR1CHRNB2CHRNA5
SCHEMBL6968798 0.86 SPHK1 (0.45) MCHR1SPHK2SPHK1
SCHEMBL6968802 0.86 SPHK1 (0.45) MCHR1SPHK2SPHK1
SCHEMBL6967496 0.85 HPGD (0.47) MAOAMAOB
SCHEMBL6969419 0.85 HPGD (0.47) MAOAMAOB
SCHEMBL6968026 0.85 CHRNB2 (0.37) FAAHKCNH2MCHR1HRH3CHRNB2
SCHEMBL6970975 0.85 HPGD (0.47) MAOAMAOB

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