SCHEMBL8413083

SCHEMBL8413083

CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)OC)cc2)c2c(c1=O)CC(C)CC2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
AGTR1 P30556 5/20 0.47
AGTR2 P50052 2/20 0.47
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL8413669 0.91 ACHE (0.47) ACHEAGTR1AGTR2LTB4R2
SCHEMBL7847610 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8502142 0.89 ACHE (0.54) ACHEAGTR1AGTR2LTB4R2
SCHEMBL8323609 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8678184 0.84 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7850545 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL7849540 0.79 AGTR1 (0.56) AGTR1AGTR2LTB4R2
SCHEMBL8411067 0.79 AGTR1 (0.54) ACHEAGTR1AGTR2LTB4R2
SCHEMBL8675328 0.78 TSHR (0.34) ACHEAGTR1AGTR2
SCHEMBL8414576 0.76 AGTR1 (0.51) ACHEAGTR1AGTR2LTB4R2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
US-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed