SCHEMBL7317548

SCHEMBL7317548

COc1ccc(N(CP(=O)(O)O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
MMP1 P03956 1/20 0.42

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
SCHEMBL7316590 0.90 MMEL1 (0.58) MMEL1
SCHEMBL7310435 0.90 MMEL1 (0.58) MMEL1
SCHEMBL7313480 0.90 MMEL1 (0.48) MMEL1
SCHEMBL7313474 0.90 MMEL1 (0.48) MMEL1
SCHEMBL7322150 0.90 MMEL1 (0.53) MMEL1
SCHEMBL7341091 0.88 MMEL1 (0.51) MMEL1
SCHEMBL7313717 0.88 MMEL1 (0.51) MMEL1
SCHEMBL7309975 0.87 MMEL1 (0.51) MMEL1
SCHEMBL7309927 0.86 MMEL1 (0.49) MMEL1
SCHEMBL7319246 0.85 MMEL1 (0.50) MMEL1

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-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed
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