SCHEMBL17164946

SCHEMBL17164946

C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)OC(C)(C)C)C(=O)OCCCCCCO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.50
▸ ACE P12821 6/20 0.50
▸ MMEL1 Q495T6 3/20 0.46

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
SCHEMBL17164911 0.84 MME (0.60) MMEACEMMEL1
SCHEMBL18575929 0.84 MME (0.60) MMEACEMMEL1
SCHEMBL17164927 0.81 MME (0.74) MMEACEMMEL1
SCHEMBL18175793 0.81 CTSS (0.46) MMEACE
SCHEMBL17169815 0.81 MME (0.63) MMEACEMMEL1
SCHEMBL17164921 0.79 MME (0.62) MMEACEMMEL1
SCHEMBL22585410 0.78 MME (0.74) MMEACEMMEL1
SCHEMBL28344119 0.78 MMEL1 (0.58) MMEACEMMEL1
SCHEMBL22585409 0.78 MME (0.59) MMEACEMMEL1
SCHEMBL21239962 0.75 MME (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015154673-A1 NOVEL PRODRUGS AND COMBINATIONS FOR TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASES WANG ZHAOYIN (CN) 2015-10-15 — — WO disclosed
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