SCHEMBL8922375

SCHEMBL8922375

COc1cccc(-c2ccc(CC(NCP(=O)(Oc3ccccc3)Oc3ccccc3)c3nnn[nH]3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.42
ECE1 P42892 5/20 0.42
AGTR2 P50052 1/20 0.42
HCAR2 Q8TDS4 1/20 0.38
XDH P47989 1/20 0.38
MAOB P27338 2/20 0.37
PLAU P00749 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP13 P45452 1/20 0.35
PTGDR Q13258 1/20 0.35
PTPRB P23467 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL8922366 1.00 MME (0.42) MMEECE1AGTR2HCAR2XDH
SCHEMBL8921594 0.96 MME (0.43) MMEECE1AGTR2HCAR2POLB
SCHEMBL8921613 0.96 MME (0.43) MMEECE1AGTR2HCAR2POLB
SCHEMBL8921559 0.92 MME (0.48) MMEECE1AGTR2
SCHEMBL8921569 0.92 MME (0.48) MMEECE1AGTR2
SCHEMBL8923159 0.91 MME (0.45) MMEECE1AGTR2HCAR2XDH
SCHEMBL8923142 0.91 MME (0.45) MMEECE1AGTR2HCAR2XDH
SCHEMBL8932547 0.89 ECE1 (0.43) MMEECE1AGTR2POLBGAA
SCHEMBL8932548 0.89 ECE1 (0.43) MMEECE1AGTR2POLBGAA
SCHEMBL8922235 0.88 MME (0.51) MMEECE1AGTR2XDHMAOB

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