SCHEMBL8921282

SCHEMBL8921282

COc1cc(CC(NCP(=O)(O)O)c2nnn[nH]2)ccc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.48
MME P08473 1/20 0.48
AGTR2 P50052 1/20 0.48
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 6/20 0.39
PPARA Q07869 1/20 0.37

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
SCHEMBL8920353 1.00 ECE1 (0.48) ECE1MMEAGTR2ROCK2ROCK1
SCHEMBL8921886 0.90 ECE1 (0.38) ECE1MMEAGTR2ROCK2ROCK1
SCHEMBL8921868 0.90 ECE1 (0.38) ECE1MMEAGTR2ROCK2ROCK1
SCHEMBL8922567 0.89 ECE1 (0.49) ECE1MMEAGTR2PPARA
SCHEMBL8922631 0.89 ECE1 (0.49) ECE1MMEAGTR2PPARA
SCHEMBL8924771 0.88 ECE1 (0.36) ECE1MMEAGTR2ROCK2ROCK1
SCHEMBL8924802 0.88 ECE1 (0.36) ECE1MMEAGTR2ROCK2ROCK1
SCHEMBL8920411 0.86 ROCK2 (0.38) ECE1MMEAGTR2ROCK2ROCK1
SCHEMBL8923691 0.84 ROCK2 (0.36) ECE1MMEAGTR2ROCK2ROCK1
SCHEMBL8923716 0.84 ROCK2 (0.36) ECE1MMEAGTR2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP claimed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US claimed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed