SCHEMBL6128164

SCHEMBL6128164

CC(C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1nnn[nH]1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 7/20 0.68
▸ MME P08473 13/20 0.67
▸ ACE P12821 2/20 0.61

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
SCHEMBL3700012 1.00 MMEL1 (0.68) MMEL1MMEACE
SCHEMBL12317482 0.89 MMEL1 (0.55) MMEL1MMEACE
SCHEMBL9929532 0.88 MME (0.70) MME
SCHEMBL9929535 0.88 MME (0.70) MME
SCHEMBL2876097 0.84 MMEL1 (0.65) MMEL1MME
SCHEMBL2876099 0.84 MMEL1 (0.65) MMEL1MME
SCHEMBL18672529 0.83 MMEL1 (0.66) MMEL1MMEACE
SCHEMBL12317322 0.83 MMEL1 (0.66) MMEL1MMEACE
SCHEMBL17667996 0.83 MME (0.79) MMEL1MMEACE
SCHEMBL18672747 0.83 MME (0.79) MMEL1MMEACE

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-2640375-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY Novartis AG (CH) 2013-09-25 — — EP disclosed
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 — — WO disclosed
Send feedback