SCHEMBL18554251

SCHEMBL18554251

CN(C)C(=O)CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.41
ACE P12821 7/20 0.41
ACE2 Q9BYF1 2/20 0.41
CPA1 P15085 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
FFAR1 O14842 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SRR Q9GZT4 1/20 0.37
PSAT1 Q9Y617 1/20 0.37

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
SCHEMBL16932216 0.82 MME (0.46) MMEACEACE2CPA1ALDH1A1
SCHEMBL16932215 0.82 MME (0.46) MMEACEACE2CPA1ALDH1A1
Hydroxyamine SCHEMBL30526974 0.80 MME (0.44) MMEACEACE2CPA1ALDH1A1
SCHEMBL15085660 0.77 ALDH1A1 (0.49) MMEACEACE2CPA1ALDH1A1
SCHEMBL6792263 0.77 MTNR1A (0.38) ALDH1A1FFAR1
SCHEMBL6792267 0.77 MTNR1A (0.38) ALDH1A1FFAR1
SCHEMBL4064873 0.73 ALPI (0.43) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL18344466 0.73 ALPI (0.43) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5066181 0.73 ALPI (0.43) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL18576716 0.72 CTSS (0.54) MMEACE

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-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