SCHEMBL7414929

SCHEMBL7414929

O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.45
ACE P12821 8/20 0.45
ACE2 Q9BYF1 8/20 0.45
CPA1 P15085 6/20 0.43
SRR Q9GZT4 1/20 0.42
PSAT1 Q9Y617 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
ECE1 P42892 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL7322712 0.81 MME (0.51) MMEACEACE2CPA1SRR
SCHEMBL7348038 0.81 MME (0.51) MMEACEACE2CPA1SRR
SCHEMBL7407175 0.80 MME (0.48) MMEACEACE2CPA1SRR
SCHEMBL7410339 0.79 MME (0.45) MMEACEACE2CPA1GPR34
SCHEMBL7408519 0.78 MAPT (0.49) MMEACEACE2CPA1GPR34
SCHEMBL7413312 0.78 MME (0.45) MMEACEACE2CPA1SRR
SCHEMBL7411123 0.78 MME (0.62) MMEACEACE2CPA1ECE1
SCHEMBL7411127 0.78 MME (0.62) MMEACEACE2CPA1ECE1
SCHEMBL3103119 0.77 FPR2 (0.54) MMEACEACE2CPA1ECE1
SCHEMBL8921718 0.76 ECE1 (0.45) MMEECE1

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 5 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
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-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed