SCHEMBL8476142

SCHEMBL8476142

CCCCC(=O)N(Cc1ccc(-c2ccccc2)c(C#N)c1)[C@H](C(=O)OC)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.57
LTB4R2 Q9NPC1 10/20 0.47
ABCB11 O95342 1/20 0.47
GP6 Q9HCN6 1/20 0.47
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL27753418 1.00 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6KDM4E
SCHEMBL8476139 1.00 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6KDM4E
SCHEMBL2441623 0.91 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6
SCHEMBL2445912 0.91 AGTR1 (0.56) AGTR1LTB4R2ABCB11GP6
SCHEMBL1808771 0.89 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6
SCHEMBL29561367 0.89 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6
SCHEMBL2032 0.89 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6
SCHEMBL2033 0.89 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6
SCHEMBL21125779 0.89 AGTR1 (0.59) AGTR1LTB4R2ABCB11GP6
SCHEMBL21125780 0.89 AGTR1 (0.59) AGTR1LTB4R2ABCB11GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101450917-B Valsartan synthesis method ZHEJIANG HISUN PHARM CO LTD 2012-07-11 CN claimed
CN-101450917-A Valsartan synthesis method ZHEJIANG HISUN PHARMACEUTICAL (CN) 2009-06-10 CN claimed
CN-103923028-A Preparation method of valsartan QINGDAO XUEJIE CHEMICALS CO LTD 2014-07-16 CN disclosed
CN-101450917-B Valsartan synthesis method ZHEJIANG HISUN PHARM CO LTD 2012-07-11 CN disclosed
CN-101450917-A Valsartan synthesis method ZHEJIANG HISUN PHARMACEUTICAL (CN) 2009-06-10 CN disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed