SCHEMBL6967502

SCHEMBL6967502

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCNCC1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2C P28335 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
MAPK3 P27361 1/20 0.40
MC4R P32245 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL6967506 1.00 HTR6 (0.40) HTR6SLC6A3HTR2CUSP2TP53
SCHEMBL6973296 0.86 USP2 (0.42) SLC6A3HTR2CUSP2TP53CYP3A4
SCHEMBL6974885 0.86 TP53 (0.41) SLC6A3HTR2CUSP2TP53CYP3A4
SCHEMBL6973300 0.86 USP2 (0.42) SLC6A3HTR2CUSP2TP53CYP3A4
SCHEMBL6974891 0.86 TP53 (0.41) SLC6A3HTR2CUSP2TP53CYP3A4
SCHEMBL6972017 0.81 PSEN1 (0.38) SLC6A3HTR2CUSP2TP53CYP3A4
SCHEMBL29670864 0.81 PSEN1 (0.44) MAPTKMT2ATDP1PSEN1MEN1
SCHEMBL11440558 0.81 PSEN1 (0.44) MAPTKMT2ATDP1PSEN1MEN1
SCHEMBL7839568 0.81 PSEN1 (0.42) MAPTKMT2ATDP1PSEN1MEN1
SCHEMBL7843126 0.81 PSEN1 (0.44) MAPTKMT2ATDP1PSEN1MEN1

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 5 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
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
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