SCHEMBL6597590

SCHEMBL6597590

O=Cc1ccc(OC(C(=O)OCc2ccccc2)[C@@H]2CCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 7/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 3/20 0.39
GHSR Q92847 2/20 0.39
DHFR P00374 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6598314 0.85 HPGD (0.54)
SCHEMBL6597418 0.85 HPGD (0.54)
SCHEMBL8418050 0.83 SRC (0.40) SLC6A3SLC6A2SLC6A4DHFRTSHR
SCHEMBL6598498 0.79 FFAR1 (0.48) TSHRCYP3A4ALDH1A1TDP1
SCHEMBL6598254 0.79 FFAR1 (0.48) TSHRCYP3A4ALDH1A1TDP1
SCHEMBL24507809 0.78 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRTSHR
SCHEMBL24507808 0.78 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRTSHR
SCHEMBL24507968 0.77 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRTSHR
SCHEMBL23759215 0.77 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRTSHR
SCHEMBL23759216 0.77 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0981526-B1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-02-25 EP disclosed
EP-0981526-A1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-01 EP disclosed
WO-1997041119-A1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed