SCHEMBL6973296

SCHEMBL6973296

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCN(CCO)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
MAPK3 P27361 1/20 0.42
HTR2C P28335 1/20 0.42
MC4R P32245 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL6973300 1.00 USP2 (0.42) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL6974885 0.90 TP53 (0.41) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL6974891 0.90 TP53 (0.41) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL6967506 0.86 HTR6 (0.40) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL6967502 0.86 HTR6 (0.40) USP2TP53CYP3A4CYP2C9ALOX15
SCHEMBL7056637 0.84 PSEN1 (0.47) USP2CYP2C9KMT2AMAPTLMNA
SCHEMBL11446495 0.84 PSEN1 (0.47) USP2CYP2C9KMT2AMAPTLMNA
SCHEMBL11446496 0.84 PSEN1 (0.47) USP2CYP2C9KMT2AMAPTLMNA
SCHEMBL11440558 0.83 PSEN1 (0.44) KMT2AMAPTTDP1PSEN1MEN1
SCHEMBL29670864 0.83 PSEN1 (0.44) KMT2AMAPTTDP1PSEN1MEN1

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-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