SCHEMBL8931998

SCHEMBL8931998

CCCCCCCC(=O)ON1Cc2cc(-c3ccccc3-c3nn[nH]n3)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.46
AGTR2 P50052 5/20 0.46
LTB4R2 Q9NPC1 1/20 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
SCHEMBL7020562 0.79 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL8931994 0.76 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL8931794 0.75 AGTR1 (0.44) AGTR1AGTR2LTB4R2
SCHEMBL8932034 0.73 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8931831 0.73 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL8931812 0.73 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8931893 0.73 AGTR1 (0.45) AGTR1AGTR2LTB4R2
SCHEMBL7015151 0.70 AGTR1 (0.46) AGTR1LTB4R2
SCHEMBL7019187 0.68 AGTR1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL7020436 0.66 AGTR1 (0.47) AGTR1AGTR2LTB4R2

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-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed