SCHEMBL7322667

SCHEMBL7322667

O=C(CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
MME P08473 4/20 0.48
ACE P12821 1/20 0.48
MMEL1 Q495T6 1/20 0.47
ECE1 P42892 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7322563 1.00 HRH4 (0.50) HRH4MMEACEMMEL1ECE1
Hydrochloric Acid SCHEMBL7307585 0.90 HRH4 (0.48) HRH4MMEACEMMEL1ECE1
SCHEMBL7348558 0.90 MME (0.48) MMEACEMMEL1ECE1L3MBTL1
SCHEMBL7312321 0.90 MME (0.48) MMEACEMMEL1ECE1L3MBTL1
SCHEMBL489232 0.86 MMEL1 (0.64) MMEACEMMEL1ECE1
SCHEMBL489231 0.86 MMEL1 (0.64) MMEACEMMEL1ECE1
Bromide SCHEMBL9683926 0.85 MMEL1 (0.62) MMEACEMMEL1ECE1
SCHEMBL7316905 0.84 L3MBTL1 (0.45) MMEACEMMEL1ECE1L3MBTL1
Bromide SCHEMBL7311466 0.84 MME (0.45) MMEACEMMEL1ECE1
SCHEMBL7383477 0.83 MME (0.54) HRH4MMEACEMMEL1L3MBTL1

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-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed