SCHEMBL7316899

SCHEMBL7316899

CCOC(=O)CCCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(OC(OC(=O)CC)C(C)C)OC(OC(=O)CC)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
MMEL1 Q495T6 2/20 0.37
SRC P12931 1/20 0.37
ALDH1A1 P00352 1/20 0.37
REN P00797 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL7311112 0.95 L3MBTL1 (0.40) L3MBTL1MMEL1
SCHEMBL7310277 0.93 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C19L3MBTL1MMEL1
SCHEMBL7317726 0.91 L3MBTL1 (0.40) CYP3A4CYP2D6CYP2C19L3MBTL1MMEL1
SCHEMBL7309787 0.90 GPR142 (0.38) CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL7321253 0.90 L3MBTL1 (0.39) CYP3A4CYP2D6CYP2C19L3MBTL1MMEL1
SCHEMBL7318799 0.89 L3MBTL1 (0.41) L3MBTL1MMEL1
SCHEMBL7311908 0.89 MMEL1 (0.48) L3MBTL1MMEL1
SCHEMBL7312621 0.89 MMEL1 (0.48) L3MBTL1MMEL1
SCHEMBL7307856 0.89 HRH4 (0.42) L3MBTL1MMEL1ALDH1A1
SCHEMBL7320312 0.88 L3MBTL1 (0.39) L3MBTL1MMEL1

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 4 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
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed