SCHEMBL7317532

SCHEMBL7317532

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.52
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
SRC P12931 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7316584 0.93 MMEL1 (0.57) MMEL1
SCHEMBL7310423 0.93 MMEL1 (0.57) MMEL1
SCHEMBL7322138 0.92 MMEL1 (0.52) MMEL1CTSLCTSSSRC
SCHEMBL7313464 0.92 MMEL1 (0.49) MMEL1CTSLCTSS
SCHEMBL7309952 0.91 MMEL1 (0.53) MMEL1CTSLCTSSSRCNPC1
SCHEMBL7313706 0.91 MMEL1 (0.50) MMEL1SRC
SCHEMBL7341079 0.91 MMEL1 (0.50) MMEL1SRC
SCHEMBL7309963 0.90 MMEL1 (0.52) MMEL1SRC
SCHEMBL7309907 0.89 MMEL1 (0.48) MMEL1CTSLCTSSSRC
SCHEMBL7313027 0.89 MMEL1 (0.52) 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