SCHEMBL8472907

SCHEMBL8472907

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCC[C@@H]1COc1ccc(C3SC(=O)N(C)C3=O)cc1)O2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
MCHR1 Q99705 3/20 0.37
FAAH O00519 6/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TP53 P04637 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL8470472 1.00 KCNH2 (0.37) KCNH2MCHR1FAAHCHRNB2CHRNA5
Hydrochloric Acid SCHEMBL8473022 0.99 KCNH2 (0.37) KCNH2MCHR1FAAHCHRNB2CHRNA5
Maleic Acid SCHEMBL8472804 0.96 KCNH2 (0.35) KCNH2MCHR1FAAHCHRNB2CHRNA5
SCHEMBL8470929 0.88 MAPT (0.42) MEN1MAPTKMT2ATDP1TP53
SCHEMBL8473756 0.88 MAPT (0.42) MEN1MAPTKMT2ATDP1TP53
Hydrochloric Acid SCHEMBL8472181 0.87 MAPT (0.41) MEN1MAPTKMT2ATDP1TP53
Maleic Acid SCHEMBL8472381 0.85 MAPT (0.39) MEN1MAPTKMT2ATDP1TP53
SCHEMBL6963223 0.84 FAAH (0.39) KCNH2MCHR1FAAHCHRNB2CHRNA5
SCHEMBL6962690 0.84 FFAR1 (0.42) KCNH2MCHR1MEN1MAPTKMT2A
SCHEMBL6963241 0.84 FFAR1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889032-A Heterocyclic compounds having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-30 US disclosed