SCHEMBL18554190

SCHEMBL18554190

O=C(O)CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N1C(=O)C=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.51
▸ MME P08473 6/20 0.51
▸ FAAH O00519 1/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ CPA3 P15088 1/20 0.44
▸ MMEL1 Q495T6 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACE P12821 5/20 0.43
▸ ABCC4 O15439 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ NAALAD2 Q9Y3Q0 1/20 0.42

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
SCHEMBL18576790 1.00 FFAR1 (0.51) FFAR1MMEFAAHMGLLCPA3
SCHEMBL18554244 0.85 POLB (0.56) FFAR1MMECPA3MMEL1MEN1
SCHEMBL18554169 0.85 POLB (0.56) FFAR1MMECPA3MMEL1MEN1
SCHEMBL18576791 0.84 MMEL1 (0.43) MMEFAAHMGLLMMEL1MEN1
SCHEMBL18576792 0.84 MMEL1 (0.43) MMEFAAHMGLLMMEL1MEN1
SCHEMBL28632027 0.78 MME (0.54) MMEMMEL1ACE
SCHEMBL28632025 0.78 MME (0.54) MMEMMEL1ACE
SCHEMBL18554256 0.76 PPARG (0.44) MMEFAAHMGLLMEN1KMT2A
SCHEMBL11480552 0.75 ALDH1A1 (0.61) CPA3MEN1KMT2ALMNAGAA
SCHEMBL30300760 0.74 MME (0.41) MMEFAAHMGLLACE

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
WO-2017033128-A1 BIPHENYL-SUBSTITUED 4-AMINO-BUTYRIC ACID DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF NEP INHIBITORS NOVARTIS AG (CH) 2017-03-02 — — WO disclosed
WO-2017033128-A1 BIPHENYL-SUBSTITUED 4-AMINO-BUTYRIC ACID DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF NEP INHIBITORS NOVARTIS AG (CH) 2017-03-02 — — WO disclosed
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