SCHEMBL17745135

SCHEMBL17745135

CCCC[C@@H](CC(=O)O)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)CC(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.60
▸ ACE P12821 2/20 0.60
▸ MMEL1 Q495T6 2/20 0.59
▸ MMP2 P08253 9/20 0.57
▸ MMP1 P03956 4/20 0.57
▸ MMP3 P08254 4/20 0.57

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
SCHEMBL12317230 1.00 MME (0.60) MMEACEMMEL1MMP2MMP1
SCHEMBL18672518 1.00 MME (0.60) MMEACEMMEL1MMP2MMP1
SCHEMBL10197932 1.00 MME (0.60) MMEACEMMEL1MMP2MMP1
SCHEMBL18672812 1.00 MME (0.60) MMEACEMMEL1MMP2MMP1
SCHEMBL12317228 0.86 MME (0.64) MMEACEMMEL1
SCHEMBL18672582 0.86 MME (0.64) MMEACEMMEL1
SCHEMBL12317280 0.84 MME (0.71) MMEACEMMEL1
SCHEMBL18672615 0.84 MME (0.71) MMEACEMMEL1
SCHEMBL2877500 0.79 MME (0.64) MMEACEMMEL1
SCHEMBL2877505 0.79 MME (0.64) MMEACEMMEL1

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-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 — — EP disclosed
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 — — EP disclosed
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