SCHEMBL8932445

SCHEMBL8932445

N#CCCn1nnnc1C(Cc1ccc(-c2ccccc2)cc1)C(N)P(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.42
MAOB P27338 4/20 0.36
PLAU P00749 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 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
SCHEMBL8922494 0.79 GHSR (0.46) GHSRMAOBNAALAD2
SCHEMBL8923880 0.79 GHSR (0.46) GHSRMAOBNAALAD2
SCHEMBL3703214 0.79 GHSR (0.46) GHSRMAOBNAALAD2
SCHEMBL3703216 0.79 GHSR (0.46) GHSRMAOBNAALAD2
SCHEMBL3707997 0.79 GHSR (0.46) GHSRMAOBNAALAD2
SCHEMBL8921655 0.79 GHSR (0.45) GHSRMAOBNAALAD2
Trifluoroacetic Acid SCHEMBL8924050 0.74 GHSR (0.51) GHSRNAALAD2
SCHEMBL8922585 0.73 GHSR (0.48) GHSRNAALAD2
SCHEMBL9018517 0.72 GHSR (0.47) GHSRMAOBNAALAD2
Hydrochloric Acid SCHEMBL3498268 0.69 MAOB (0.50) GHSRMAOB

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
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed