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Histidine

Histidine

SCHEMBL8896145

CC(C)C[C@H](N)C(=O)OC[C@H](N)C(=O)OC(=O)[C@@H](N)C(C)C.CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@H](C)N.C[C@@H](OC(=O)[C@@H]1CCCN1)[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](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.00

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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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL9031032 0.96 GHSR (0.31) —
Histidine SCHEMBL9294075 0.92 — —
Histidine SCHEMBL9538044 0.87 CRHR1 (0.34) —
Lysine SCHEMBL5577931 0.82 — —
Tryptophan SCHEMBL9152334 0.81 PTH1R (0.42) —
Arginine SCHEMBL18042250 0.81 TUBB4A (0.32) —
Tryptophan SCHEMBL9614424 0.80 PTH1R (0.39) —
Histidine SCHEMBL8896151 0.80 CRHR1 (0.32) —
Histidine SCHEMBL9031033 0.80 CRHR1 (0.32) —
Arginine SCHEMBL18042252 0.79 TUBB4A (0.33) —

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