SCHEMBL8921594

SCHEMBL8921594

COc1cccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)c2nnn[nH]2)Oc2cccc(OC)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.43
ECE1 P42892 5/20 0.43
AGTR2 P50052 1/20 0.43
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
ADRB3 P13945 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
SLC2A1 P11166 1/20 0.35
ADRB2 P07550 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
SCHEMBL8921613 1.00 MME (0.43) MMEECE1AGTR2POLBGAA
SCHEMBL8922375 0.96 MME (0.42) MMEECE1AGTR2POLBGAA
SCHEMBL8922366 0.96 MME (0.42) MMEECE1AGTR2POLBGAA
SCHEMBL8921569 0.91 MME (0.48) MMEECE1AGTR2
SCHEMBL8921559 0.91 MME (0.48) MMEECE1AGTR2
SCHEMBL8921967 0.91 MME (0.46) MMEECE1AGTR2POLBGAA
SCHEMBL8921961 0.91 MME (0.46) MMEECE1AGTR2POLBGAA
SCHEMBL8932548 0.91 ECE1 (0.43) MMEECE1AGTR2POLBGAA
SCHEMBL8932547 0.91 ECE1 (0.43) MMEECE1AGTR2POLBGAA
SCHEMBL8920316 0.88 ECE1 (0.44) MMEECE1AGTR2

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 6 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
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed