SCHEMBL21098339

SCHEMBL21098339

CCCCC(=O)N(Cc1ccc(-c2ccccc2/C(N)=N/NN)cc1)C(C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 14/20 0.54
AGTR1 P30556 8/20 0.52
ABCB11 O95342 1/20 0.48
GP6 Q9HCN6 1/20 0.48

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
SCHEMBL21097873 1.00 LTB4R2 (0.54) LTB4R2AGTR1ABCB11GP6
SCHEMBL20694580 0.90 LTB4R2 (0.60) LTB4R2AGTR1ABCB11GP6
SCHEMBL21098639 0.82 LTB4R2 (0.56) LTB4R2AGTR1ABCB11GP6
SCHEMBL29378073 0.80 AGTR1 (0.54) LTB4R2AGTR1ABCB11GP6
SCHEMBL2140 0.80 AGTR1 (0.54) LTB4R2AGTR1ABCB11GP6
SCHEMBL1809623 0.80 AGTR1 (0.54) LTB4R2AGTR1ABCB11GP6
SCHEMBL18969779 0.80 LTB4R2 (0.48) LTB4R2AGTR1ABCB11GP6
SCHEMBL25964111 0.80 AGTR1 (0.67) LTB4R2AGTR1ABCB11GP6
SCHEMBL25964104 0.80 AGTR1 (0.67) LTB4R2AGTR1ABCB11GP6
SCHEMBL19236573 0.78 LTB4R2 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498698-A1 SOLID FORMS OF VALSARTAN DISODIUM AND PROCESS OF PREPARATION THEREOF MANKIND PHARMA LTD (IN) 2019-06-19 EP disclosed