SCHEMBL7322114

SCHEMBL7322114

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
TACR2 P21452 1/20 0.36
FPR2 P25090 1/20 0.35
MMEL1 Q495T6 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
NOD2 Q9HC29 1/20 0.35
BCHE P06276 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
SCHEMBL7319859 0.93 L3MBTL1 (0.38) L3MBTL1TACR2FPR2MMEL1CTSL
SCHEMBL9683582 0.91 MMEL1 (0.44) L3MBTL1TACR2MMEL1
SCHEMBL7312849 0.86 L3MBTL1 (0.37) L3MBTL1TACR2FPR2MMEL1BCHE
SCHEMBL7318595 0.80 L3MBTL1 (0.41) L3MBTL1MMEL1CTSLCTSSNOD2
SCHEMBL7312321 0.79 MME (0.48) L3MBTL1MMEL1
SCHEMBL7348558 0.79 MME (0.48) L3MBTL1MMEL1
SCHEMBL7354164 0.76 L3MBTL1 (0.46) L3MBTL1MMEL1CTSLCTSSNOD2
SCHEMBL7320312 0.75 L3MBTL1 (0.39) L3MBTL1MMEL1NOD2
SCHEMBL7348239 0.74 L3MBTL1 (0.44) L3MBTL1MMEL1CTSLCTSS
SCHEMBL7319527 0.73 L3MBTL1 (0.42) L3MBTL1FPR2MMEL1NOD2EED

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