SCHEMBL7322138

SCHEMBL7322138

Cc1ccc(OP(=O)(O)CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.52
SRC P12931 1/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
GCGR P47871 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 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
SCHEMBL7309963 0.98 MMEL1 (0.52) MMEL1SRCADCY6ADCY3ADCY9
SCHEMBL7316584 0.93 MMEL1 (0.57) MMEL1
SCHEMBL7310423 0.93 MMEL1 (0.57) MMEL1
SCHEMBL7317532 0.92 MMEL1 (0.52) MMEL1SRCCTSLCTSS
SCHEMBL7318630 0.91 MMEL1 (0.53) MMEL1SRCCTSLCTSSADCY6
SCHEMBL7341079 0.91 MMEL1 (0.50) MMEL1SRCADCY6ADCY3ADCY9
SCHEMBL7313706 0.91 MMEL1 (0.50) MMEL1SRC
SCHEMBL7319234 0.90 MMEL1 (0.49) MMEL1SRCCTSLCTSSADCY6
SCHEMBL7314722 0.89 MMEL1 (0.53) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7309907 0.89 MMEL1 (0.48) MMEL1SRCCTSLCTSSADCY6

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 3 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
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