SCHEMBL8931987

SCHEMBL8931987

CCCCCC(C(=O)O)(c1ccccc1-c1nn[nH]n1)n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.41
AGTR1 P30556 7/20 0.41
AGTR2 P50052 6/20 0.41

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
SCHEMBL8931792 0.99 AGTR1 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL8931850 0.84 AGTR1 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL8931810 0.84 AGTR1 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL8932041 0.82 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8931904 0.81 AGTR1 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL8931954 0.81 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8931838 0.79 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8931818 0.78 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8931921 0.78 LTB4R2 (0.43) LTB4R2AGTR1AGTR2
SCHEMBL8931832 0.78 LTB4R2 (0.45) LTB4R2AGTR1AGTR2

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