SCHEMBL6976530

SCHEMBL6976530

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(CN1CCC[C@H]1COc1ccc(CC3SC(=N)NC3=O)cc1)O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
KCNH2 Q12809 2/20 0.37
MCHR1 Q99705 2/20 0.37
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FFAR1 O14842 7/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 4/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 4/20 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
SCHEMBL6976526 1.00 MAOB (0.38) MAOBKCNH2MCHR1MEN1MAPT
SCHEMBL6962682 0.93 FFAR1 (0.42) KCNH2MCHR1MEN1MAPTKMT2A
SCHEMBL6963241 0.93 FFAR1 (0.42) KCNH2MCHR1MEN1MAPTKMT2A
SCHEMBL6963557 0.93 FFAR1 (0.42) KCNH2MCHR1MEN1MAPTKMT2A
SCHEMBL6962690 0.93 FFAR1 (0.42) KCNH2MCHR1MEN1MAPTKMT2A
SCHEMBL6963477 0.93 FFAR1 (0.41) KCNH2MCHR1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6971881 0.93 FFAR1 (0.41) KCNH2MCHR1MEN1MAPTKMT2A
Maleic Acid SCHEMBL6970543 0.90 PPARG (0.40) KCNH2MCHR1MEN1MAPTKMT2A
SCHEMBL6963223 0.83 FAAH (0.39) MAOBKCNH2MCHR1MEN1MAPT
SCHEMBL8472907 0.83 KCNH2 (0.37) KCNH2MCHR1MEN1MAPTKMT2A

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