SCHEMBL9296236

SCHEMBL9296236

CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C1CNC(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
DPP4 P27487 2/20 0.39
AGTR1 P30556 16/20 0.37
AGTR2 P50052 16/20 0.37
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL1989 0.79 AGTR1 (0.40) AGTR1AGTR2LTB4R2
SCHEMBL22268662 0.77 LTB4R2 (0.37) AGTR1AGTR2LTB4R2
SCHEMBL24355021 0.75 DPP4 (0.50) DPP8DPP7DPP4LTB4R2
SCHEMBL9430294 0.72 AGTR1 (0.42) AGTR1AGTR2LTB4R2
SCHEMBL9430054 0.72 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL9296080 0.71 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL1988 0.71 LTB4R2 (0.56) AGTR1LTB4R2
SCHEMBL1990 0.71 LTB4R2 (0.56) AGTR1LTB4R2
SCHEMBL9296071 0.71 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL3272 0.71 LTB4R2 (0.56) AGTR1LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326776-A Tetrazoles ABBOTT LABORATORIES (US) 1994-07-05 US disclosed
WO-1993017681-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed