SCHEMBL8414575

SCHEMBL8414575

CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)OC)cc2)c2cc(C(=O)N3CCCC3)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
AGTR1 P30556 4/20 0.45
AGTR2 P50052 2/20 0.45
CNR2 P34972 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8322426 0.92 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8412385 0.91 AGTR1 (0.50) ACHEAGTR1AGTR2CNR2TP53
SCHEMBL8410082 0.89 AGTR1 (0.49) ACHEAGTR1AGTR2TP53MAPT
SCHEMBL8414576 0.86 AGTR1 (0.51) ACHEAGTR1AGTR2
SCHEMBL8322474 0.86 AGTR1 (0.41) AGTR1AGTR2CNR2TP53MAPT
SCHEMBL8411067 0.84 AGTR1 (0.54) ACHEAGTR1AGTR2
SCHEMBL8327093 0.81 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8325765 0.81 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8502142 0.78 ACHE (0.54) ACHEAGTR1AGTR2
SCHEMBL8327991 0.77 AGTR1 (0.54) AGTR1AGTR2

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-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed