SCHEMBL8920174

SCHEMBL8920174

COc1cc(-c2ccccc2)ccc1C[C@H](NCP(=O)(Oc1ccccc1)Oc1ccccc1)c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
MME P08473 1/20 0.34
ECE1 P42892 1/20 0.34
AGTR2 P50052 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ROCK2 O75116 6/20 0.33
ROCK1 Q13464 6/20 0.33
ACLY P53396 2/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL8920186 1.00 ADRB1 (0.34) ADRB1ADRB3MMEECE1AGTR2
SCHEMBL8921339 0.91 MME (0.37) ADRB1ADRB3MMEECE1AGTR2
SCHEMBL8921331 0.91 MME (0.37) ADRB1ADRB3MMEECE1AGTR2
SCHEMBL8920285 0.88 ECE1 (0.46) ADRB1ADRB3MMEECE1AGTR2
SCHEMBL8920227 0.88 ECE1 (0.46) ADRB1ADRB3MMEECE1AGTR2
SCHEMBL8922375 0.85 MME (0.42) MMEECE1AGTR2
SCHEMBL8922366 0.85 MME (0.42) MMEECE1AGTR2
SCHEMBL8921559 0.83 MME (0.48) MMEECE1AGTR2
SCHEMBL8921569 0.83 MME (0.48) MMEECE1AGTR2
SCHEMBL8921613 0.83 MME (0.43) ADRB3MMEECE1AGTR2

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 3 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 disclosed
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