SCHEMBL30929324

SCHEMBL30929324

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.51
LTB4R2 Q9NPC1 4/20 0.51
ABCB11 O95342 1/20 0.51
GP6 Q9HCN6 1/20 0.51
AGTR2 P50052 4/20 0.35

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
SCHEMBL30929306 0.86 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL28403471 0.85 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL684206 0.85 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL28455057 0.85 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL12173191 0.85 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL30218409 0.84 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL1560689 0.84 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.84 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL157179 0.84 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2329 0.84 AGTR1 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019729-A Process for the preparation of sartan 新梅斯托克公司 2024-05-10 CN disclosed