SCHEMBL19788045

SCHEMBL19788045

CC(CCO)(C[C@H](N)Cc1ccc(-c2cccc(F)c2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 11/20 0.58
▸ ACE P12821 3/20 0.58
▸ MMEL1 Q495T6 1/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ GPR88 Q9GZN0 1/20 0.40
▸ TPH1 P17752 2/20 0.40
▸ TPH2 Q8IWU9 2/20 0.40
▸ GPR34 Q9UPC5 1/20 0.40
▸ FFAR1 O14842 1/20 0.39

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
SCHEMBL20681824 1.00 MME (0.58) MMEACEMMEL1TAAR1GPR88
SCHEMBL11969672 0.91 MME (0.69) MMEACEMMEL1TAAR1TPH1
SCHEMBL18800933 0.91 MME (0.69) MMEACEMMEL1TAAR1TPH1
SCHEMBL19605644 0.87 MME (0.52) MMEACEMMEL1TAAR1
SCHEMBL20376145 0.87 MME (0.52) MMEACEMMEL1TAAR1
SCHEMBL21310252 0.83 MME (0.85) MMEACEMMEL1
SCHEMBL18922283 0.82 MME (0.57) MMEACEGPR88
SCHEMBL19688037 0.82 MME (0.57) MMEACEGPR88
SCHEMBL21350789 0.80 MME (0.51) MMEACEMMEL1TAAR1TPH1
SCHEMBL19687852 0.80 MME (0.45) 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
US-9873685-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 — — US disclosed
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