SCHEMBL8410401

SCHEMBL8410401

CCCCc1cn(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2c(c1=O)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
AGTR2 P50052 3/20 0.45

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
SCHEMBL7849540 0.84 AGTR1 (0.56) AGTR1LTB4R2AGTR2
SCHEMBL8502142 0.76 ACHE (0.54) AGTR1LTB4R2AGTR2
SCHEMBL8325773 0.74 AGTR1 (0.40) AGTR1LTB4R2AGTR2
SCHEMBL7847610 0.74 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7850545 0.73 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL3906504 0.71 BRS3 (0.70) AGTR1LTB4R2AGTR2
SCHEMBL8325939 0.71 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8327093 0.69 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8327991 0.68 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL11948564 0.67 AGTR1 (0.53) 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