SCHEMBL7319859

SCHEMBL7319859

CCOC(=O)CCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(OCC1(OC(=O)c2ccccc2)CCCCC1)OCC1(OC(=O)c2ccccc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
TACR2 P21452 1/20 0.36
MMEL1 Q495T6 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
BCHE P06276 1/20 0.35
FPR2 P25090 1/20 0.34
EED O75530 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL7322114 0.93 L3MBTL1 (0.37) L3MBTL1TACR2MMEL1CTSLCTSS
SCHEMBL7312849 0.92 L3MBTL1 (0.37) L3MBTL1TACR2MMEL1BCHEFPR2
SCHEMBL9683582 0.84 MMEL1 (0.44) L3MBTL1TACR2MMEL1
SCHEMBL7354164 0.80 L3MBTL1 (0.46) L3MBTL1MMEL1CTSLCTSSEED
SCHEMBL7319527 0.78 L3MBTL1 (0.42) L3MBTL1MMEL1FPR2EED
SCHEMBL7348239 0.78 L3MBTL1 (0.44) L3MBTL1MMEL1CTSLCTSS
SCHEMBL7348558 0.78 MME (0.48) L3MBTL1MMEL1
SCHEMBL7312321 0.78 MME (0.48) L3MBTL1MMEL1
SCHEMBL7343787 0.77 MMEL1 (0.51) L3MBTL1MMEL1
SCHEMBL7314860 0.77 L3MBTL1 (0.41) L3MBTL1MMEL1CTSSFPR2EED

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