SCHEMBL5870135

SCHEMBL5870135

O=C(O)C(Cc1ccccc1)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.50
▸ TRHDE Q9UKU6 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NAALAD2 Q9Y3Q0 2/20 0.42
▸ MMP2 P08253 4/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.41

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
SCHEMBL8255755 1.00 MME (0.50) MMETRHDENPSR1NAALAD2MMP2
SCHEMBL29448215 0.92 MME (0.43) MMENPSR1NAALAD2MMP2MMP9
SCHEMBL8249923 0.90 MME (0.59) MME
SCHEMBL5870219 0.90 MME (0.59) MME
SCHEMBL8253955 0.89 MME (0.44) MMENAALAD2L3MBTL1
SCHEMBL5869728 0.89 MME (0.44) MMENAALAD2L3MBTL1
SCHEMBL3911030 0.87 MME (0.39) MMENAALAD2
SCHEMBL3911025 0.87 MME (0.39) MMENAALAD2
SCHEMBL10826528 0.85 MME (0.52) MME
SCHEMBL466340 0.85 GAA (0.40) MMENAALAD2

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 — — US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 — — US disclosed
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