SCHEMBL5603448

SCHEMBL5603448

O=C(O)CCNC(=O)C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.59
▸ MME P08473 2/20 0.59
▸ MMEL1 Q495T6 1/20 0.56
▸ NAALAD2 Q9Y3Q0 1/20 0.54

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
SCHEMBL650610 1.00 ACE (0.59) ACEMMEMMEL1NAALAD2
SCHEMBL391211 1.00 ACE (0.59) ACEMMEMMEL1NAALAD2
SCHEMBL7380315 0.95 MMEL1 (0.64) ACEMMEMMEL1
SCHEMBL7385743 0.95 MMEL1 (0.64) ACEMMEMMEL1
SCHEMBL11296564 0.92 ATM (0.52) ACEMMENAALAD2
SCHEMBL7385019 0.91 MME (0.64) ACEMMEMMEL1NAALAD2
Water SCHEMBL10949495 0.90 MME (0.62) ACEMMEMMEL1NAALAD2
SCHEMBL9068701 0.89 FOLH1 (0.52) NAALAD2
SCHEMBL10944494 0.87 ACE (0.50) ACEMMEMMEL1
SCHEMBL7373739 0.86 MME (0.48) ACEMME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863467-A2 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (US) 2007-12-12 — — EP claimed
WO-2006086456-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-08-17 — — WO claimed
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