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Histidine

Histidine

SCHEMBL8896151

CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Histidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ NPY1R P25929 1/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ CALCR P30988 4/20 0.31

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
Histidine SCHEMBL9031033 0.99 CRHR1 (0.32) CRHR1CRHR2NPY1RNPY2RHCRTR1
Histidine SCHEMBL9294080 0.93 MC4R (0.31) —
Cystine SCHEMBL27454820 0.90 CRHR1 (0.32) CRHR1CRHR2CALCR
Tyrosine SCHEMBL9538046 0.90 CRHR1 (0.40) CRHR1CRHR2NPY1RNPY2RCALCR
Histidine SCHEMBL29169735 0.87 HCRTR1 (0.30) HCRTR1HCRTR2
Histidine SCHEMBL6661753 0.86 — —
Arginine SCHEMBL29238661 0.86 APLNR (0.39) —
Phenylalanine SCHEMBL28835549 0.85 CALCR (0.40) CRHR1CRHR2NPY1RNPY2RHCRTR1
Arginine SCHEMBL23456962 0.85 GLP1R (0.34) —
Tryptophan SCHEMBL6563945 0.84 GLP1R (0.41) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663953-A4 PHAGEMIDS COEXPRESSING A SURFACE RECEPTOR AND A SURFACE HETEROLOGOUS PROTEIN. SCRIPPS RESEARCH INST (US) 1997-05-02 — — EP disclosed
EP-0663953-A1 PHAGEMIDS COEXPRESSING A SURFACE RECEPTOR AND A SURFACE HETEROLOGOUS PROTEIN THE SCRIPPS RESEARCH INSTITUTE (US) 1995-07-26 — — EP disclosed
WO-1994005781-A1 PHAGEMIDS COEXPRESSING A SURFACE RECEPTOR AND A SURFACE HETEROLOGOUS PROTEIN THE SCRIPPS RESEARCH INSTITUTE (US) 1994-03-17 — — WO disclosed