Phenylalanine

Phenylalanine

SCHEMBL9617522

CC[C@H](C)[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)OC(=O)[C@@H](N)CS.N[C@@H](Cc1ccc(OC(=O)[C@@H]2CCCN2)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
CTSC P53634 2/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
SLC7A5 Q01650 1/20 0.32
MME P08473 2/20 0.31
ACE P12821 2/20 0.31
CPA1 P15085 2/20 0.31
ACE2 Q9BYF1 2/20 0.31
GHSR Q92847 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
CA2 P00918 1/20 0.30
DPP4 P27487 1/20 0.30
GPR88 Q9GZN0 1/20 0.30

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
Glutamine SCHEMBL294952 0.83 REN (0.35) REN
Tyrosine SCHEMBL9617523 0.82 REN (0.39) RENCTSCALPIPKMPTGS1
Dl-Phenylalanine SCHEMBL29176066 0.81 REN (0.44) RENCTSCALPIPKMPTGS1
Asparagine SCHEMBL10380760 0.81 REN (0.34) RENHTR2CHTR2BSLC7A5DPP4
Asparagine SCHEMBL10379803 0.79 REN (0.33) REN
Leucine SCHEMBL17065117 0.79 REN (0.33) REN
Leucine SCHEMBL5151721 0.78 REN (0.34) REN
SCHEMBL4542258 0.77 PTPN1 (0.45) CTSCHTR2CHTR2BALPIPKM
SCHEMBL5576438 0.77 SLC7A5 (0.41) CTSCHTR2CHTR2BALPIPKM
Threonine SCHEMBL17728293 0.75 SLC7A5 (0.37) RENCTSCHTR2CHTR2BALPI

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
JP-4247100-A None JP disclosed
JP-H04247100-A NOVEL PEPTIDE, ITS PRODUCTION AND USE THEREOF NIPPON SYNTHETIC CHEM IND CO LTD:THE 1992-09-03 JP disclosed