SCHEMBL9296496

SCHEMBL9296496

CCCCN=C1SC=NC1(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.33
AGTR2 P50052 5/20 0.33
LTB4R2 Q9NPC1 2/20 0.33

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
SCHEMBL9296491 1.00 AGTR1 (0.33) AGTR1AGTR2LTB4R2
SCHEMBL9296356 0.90 LTB4R2 (0.33) AGTR1AGTR2LTB4R2
SCHEMBL9296349 0.90 LTB4R2 (0.33) AGTR1AGTR2LTB4R2
SCHEMBL9296077 0.81 AGT (0.41) AGTR1AGTR2
SCHEMBL9296082 0.81 AGT (0.41) AGTR1AGTR2
SCHEMBL8472799 0.69 LTB4R2 (0.38) AGTR1AGTR2LTB4R2
SCHEMBL7311411 0.68 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8260354 0.68 LTB4R2 (0.52) AGTR1LTB4R2
SCHEMBL2864 0.68 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL9525771 0.67

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-5326776-A Tetrazoles ABBOTT LABORATORIES (US) 1994-07-05 US disclosed