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SCHEMBL8905158

SCHEMBL8905158

CCCCc1nc2ccc(N3C(=O)CC(C)(C)CC3=O)cc2n1-c1cccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AGT P01019 2/20 0.42
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ACHE P22303 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL8905154 0.89 AGT (0.40) AGTAGTR1AGTR2LMNAMAPK1
SCHEMBL8788760 0.84 AGT (0.56) AGTAGTR1AGTR2
SCHEMBL8906568 0.82 ALDH1A1 (0.32) ALDH1A1LMNAMAPK1CYP1A2CYP3A4
SCHEMBL8907038 0.77 AGTR1 (0.43) AGTAGTR1AGTR2
SCHEMBL8905613 0.75 AGT (0.42) AGTAGTR1AGTR2LMNAMAPK1
SCHEMBL8906546 0.75 LMNA (0.33) ALDH1A1LMNAMAPK1
SCHEMBL8906465 0.74 AGT (0.39) AGTAGTR1AGTR2
SCHEMBL8392444 0.74 AGT (0.42) AGTAGTR1AGTR2LMNAMAPK1
SCHEMBL8906825 0.72 AGTR1 (0.39) AGTAGTR1AGTR2
SCHEMBL8905649 0.71 AGT (0.41) AGTAGTR1AGTR2ACHE

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
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 — — US disclosed