SCHEMBL8295440

SCHEMBL8295440

CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=N)NN=N)cc1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 13/20 0.61
AGTR1 P30556 9/20 0.61
ABCB11 O95342 1/20 0.61
GP6 Q9HCN6 1/20 0.61

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
SCHEMBL19342800 0.89 LTB4R2 (0.63) LTB4R2AGTR1ABCB11GP6
SCHEMBL25964113 0.86 LTB4R2 (0.66) LTB4R2AGTR1ABCB11GP6
SCHEMBL2364 0.86 LTB4R2 (0.80) LTB4R2AGTR1ABCB11GP6
SCHEMBL2365 0.86 LTB4R2 (0.80) LTB4R2AGTR1ABCB11GP6
SCHEMBL17946059 0.85 LTB4R2 (0.69) LTB4R2AGTR1ABCB11GP6
SCHEMBL19236573 0.84 LTB4R2 (0.60) LTB4R2AGTR1ABCB11GP6
SCHEMBL683480 0.83 LTB4R2 (0.75) LTB4R2AGTR1ABCB11GP6
SCHEMBL18406103 0.82 LTB4R2 (0.60) LTB4R2AGTR1ABCB11GP6
SCHEMBL20694580 0.82 LTB4R2 (0.60) LTB4R2AGTR1ABCB11GP6
SCHEMBL8344867 0.82 LTB4R2 (0.47) LTB4R2AGTR1ABCB11GP6

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-3109241-B1 METHOD OF REFINING VALSARTAN COMPRISING MORE THAN 10% D-ISOMERS ZHEJIANG HUAHAI PHARM CO LTD (CN) 2019-04-17 EP disclosed
EP-2116548-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES Novartis AG (CH) 2009-11-11 EP disclosed
WO-2005014602-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2005-02-17 WO disclosed