SCHEMBL6533118

SCHEMBL6533118

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.80
AGTR1 P30556 3/20 0.64
LTB4R2 Q9NPC1 3/20 0.64
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
ABCB11 O95342 1/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
GAA P10253 1/20 0.59
EDNRA P25101 1/20 0.59
MAPK1 P28482 1/20 0.59
HTR2B P41595 1/20 0.59
AGTR2 P50052 1/20 0.59
PDE3A Q14432 1/20 0.59
SLC10A1 Q14973 1/20 0.59

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
SCHEMBL1316335 0.89 ACHE (1.00) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL29598156 0.89 ACHE (1.00) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083730 0.89 ACHE (0.82) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL8246734 0.86 ACHE (0.94) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083894 0.83 ACHE (0.76) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083812 0.83 ACHE (0.76) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL38655977 0.83 ACHE (0.89) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083888 0.83 ACHE (0.73) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083538 0.83 ACHE (0.79) ACHEAGTR1LTB4R2ABCC3ABCC4
SCHEMBL21083617 0.83 ACHE (0.70) ACHEAGTR1LTB4R2ABCC3ABCC4

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
WO-2012148148-A9 NOVEL ZINC AZIDE COMPLEX AND A PROCESS FOR PREPARING TETRAZOLE DERIVATIVES USING THE SAME LG LIFE SCIENCES LTD. (KR) 2013-02-14 WO disclosed
WO-2012148148-A2 NOVEL ZINC AZIDE COMPLEX AND A PROCESS FOR PREPARING TETRAZOLE DERIVATIVES USING THE SAME LG LIFE SCIENCES LTD. (KR) 2012-11-01 WO disclosed
WO-2005051943-A1 PROCESSES FOR THE PREPARATION OF HIGHLY PURE IRBESARTAN RANBAXY LABORATORIES LIMITED (IN) 2005-06-09 WO disclosed