SCHEMBL22787348

SCHEMBL22787348

CC(C)[C@@H](C(=O)O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)N=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.46
LTB4R2 Q9NPC1 3/20 0.46
ABCB11 O95342 1/20 0.46
GP6 Q9HCN6 1/20 0.46
ADAMTS4 O75173 2/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
AGTR2 P50052 5/20 0.36

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
SCHEMBL28451586 1.00 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL2439774 0.88 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL12173191 0.85 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL28459373 0.84 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL14180252 0.84 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL28455057 0.83 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3185 0.82 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL3011 0.82 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6ADAMTS4
SCHEMBL21619429 0.82 AGTR1 (0.67) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL21619421 0.82 AGTR1 (0.67) AGTR1LTB4R2ABCB11GP6AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020248341-A1 METHOD FOR PREPARING VALSARTAN 宁波美诺华药业股份有限公司 2020-12-17 WO disclosed
CN-109761924-B Improved post-treatment method of valsartan reaction mixed liquid 安徽美诺华药物化学有限公司 2020-09-01 CN disclosed