SCHEMBL14919312

SCHEMBL14919312

CCOC(=O)[C@H](O)CC(N)Cc1ccc(-c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 3/20 0.46
▸ MME P08473 17/20 0.45
▸ ACE P12821 2/20 0.42
▸ RORC P51449 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
SCHEMBL18597832 1.00 MMEL1 (0.46) MMEL1MMEACERORC
SCHEMBL14891060 1.00 MMEL1 (0.46) MMEL1MMEACERORC
SCHEMBL18040125 0.90 MME (0.55) MMEACE
SCHEMBL18724753 0.90 MME (0.55) MMEACE
SCHEMBL16939240 0.90 MME (0.55) MMEACE
SCHEMBL17980192 0.90 MME (0.55) MMEACE
SCHEMBL12317504 0.89 MME (0.45) MMEL1MMEACERORC
SCHEMBL14900472 0.86 MMEL1 (0.51) MMEL1MMEACERORC
SCHEMBL12975259 0.84 MMEL1 (0.47) MMEL1MMEACERORC
SCHEMBL14918910 0.83 MME (0.55) 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-2773335-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2014-09-10 — — EP disclosed
WO-2013067163-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-05-10 — — WO disclosed
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