SCHEMBL7313480

SCHEMBL7313480

COc1cccc(N(CP(=O)(O)O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.48
MME P08473 1/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 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
SCHEMBL7313474 1.00 MMEL1 (0.48) MMEL1MMEMTNR1AMTNR1B
SCHEMBL7317548 0.90 MMEL1 (0.50) MMEL1
SCHEMBL7310435 0.88 MMEL1 (0.58) MMEL1MME
SCHEMBL7316590 0.88 MMEL1 (0.58) MMEL1MME
SCHEMBL7308208 0.85 MMEL1 (0.45) MMEL1MMEMTNR1AMTNR1B
SCHEMBL7308204 0.85 MMEL1 (0.45) MMEL1MMEMTNR1AMTNR1B
SCHEMBL7319246 0.85 MMEL1 (0.50) MMEL1MME
SCHEMBL7309975 0.84 MMEL1 (0.51) MMEL1MME
SCHEMBL7322150 0.83 MMEL1 (0.53) MMEL1MME
SCHEMBL7313040 0.82 MMEL1 (0.51) MMEL1MME

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-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
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