SCHEMBL30929318

SCHEMBL30929318

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.63
LTB4R2 Q9NPC1 9/20 0.63
ABCB11 O95342 1/20 0.63
GP6 Q9HCN6 1/20 0.63

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
SCHEMBL2476 0.93 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL14971365 0.93 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL6460181 0.93 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL2475 0.93 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL29406387 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2329 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2542 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL1560689 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL157179 0.93 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