SCHEMBL7308615

SCHEMBL7308615

Cc1cc(C)cc(C(NC(Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)O)(c2cc(C)cc(C)c2)P(=O)(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.53
ADCY6 O43306 1/20 0.47
ADCY3 O60266 1/20 0.47
ADCY9 O60503 1/20 0.47
ADCY5 O95622 1/20 0.47
ADCY8 P40145 1/20 0.47
GCGR P47871 1/20 0.47
ADCY7 P51828 1/20 0.47
ADCY2 Q08462 1/20 0.47
ADCY1 Q08828 1/20 0.47
ADCY4 Q8NFM4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 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
SCHEMBL7318641 0.91 MMEL1 (0.54) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7314730 0.91 MMEL1 (0.54) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7309981 0.90 MMEL1 (0.59) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7316454 0.89 MMEL1 (0.52) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7340639 0.86 MMEL1 (0.55) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7309974 0.86 MMEL1 (0.55) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7311816 0.85 ADCY6 (0.53) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7318922 0.85 MMEL1 (0.52) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7412178 0.85 MME (0.47) MMEACE
SCHEMBL7412188 0.85 MME (0.47) MMEACE

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