SCHEMBL30929307

SCHEMBL30929307

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
AGTR2 P50052 7/20 0.33
FOLH1 Q04609 3/20 0.33

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
SCHEMBL30929290 0.88 AGTR1 (0.43) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8477037 0.87 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2773 0.87 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2439774 0.85 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6MMP2
SCHEMBL14958522 0.85 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL30929305 0.85 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL30929293 0.81 AGTR1 (0.43) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2477 0.80 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8477555 0.79 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8524093 0.78 AGTR1 (0.50) 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
CN-118019729-A Process for the preparation of sartan 新梅斯托克公司 2024-05-10 CN claimed
CN-118019729-A Process for the preparation of sartan 新梅斯托克公司 2024-05-10 CN disclosed