SCHEMBL29137192

SCHEMBL29137192

CCCCC1NC(=O)C2(CCCC2)N1C=C=CCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
ACHE P22303 2/20 0.44
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
PPARG P37231 2/20 0.33
CNR2 P34972 1/20 0.33
AGTR2 P50052 1/20 0.32
GRM2 Q14416 1/20 0.32
ADAM17 P78536 1/20 0.31

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
SCHEMBL9682387 0.65 AGTR1 (0.43) AGTR1LTB4R2ACHEPPARGCNR2
SCHEMBL8305889 0.64 ACHE (0.37) AGTR1LTB4R2ACHEPPARGCNR2
SCHEMBL7649207 0.63 ACHE (0.47) AGTR1LTB4R2ACHEPPARGCNR2
SCHEMBL5411252 0.63 AGTR1 (0.43) AGTR1LTB4R2ACHEPPARGCNR2
SCHEMBL9402468 0.63 ACHE (0.44) AGTR1LTB4R2ACHEPPARGCNR2
SCHEMBL2692039 0.62 PPARG (0.53) AGTR1ACHEPPARGAGTR2
SCHEMBL9846028 0.62 ESR2 (0.56) ACHEITGB1ITGA4PPARGCNR2
SCHEMBL29598156 0.62 ACHE (1.00) AGTR1LTB4R2ACHEAGTR2
SCHEMBL1316335 0.62 ACHE (1.00) AGTR1LTB4R2ACHEAGTR2
SCHEMBL4253889 0.61 HSD17B10 (0.58) AGTR1ACHEPPARGAGTR2

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-114835689-B Solvent-free method for preparing irbesartan 浙江金立源药业有限公司 2024-01-02 CN disclosed