Histidine

Histidine

SCHEMBL7757156

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

nearest known ligand 0.00

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.

⚠ 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 SCHEMBL6554652 0.99
Histidine SCHEMBL8428516 0.98 GHSR (0.30)
Histidine SCHEMBL20817128 0.95
Histidine SCHEMBL28798985 0.95 GSR (0.32)
Histidine SCHEMBL7759763 0.95 GSR (0.32)
Histidine SCHEMBL8428513 0.93
Histidine SCHEMBL28633479 0.91
Histidine SCHEMBL7753923 0.90 SLC7A5 (0.30)
Histidine SCHEMBL7757149 0.89
Arginine SCHEMBL6040161 0.88 TUBB4A (0.34)

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
EP-1082346-A1 SPECIFIC BINDING PROTEINS FOR TREATING CANINE ALLERGY IDEXX LABORATORIES, INC. (US) 2001-03-14 EP disclosed
WO-2000058365-A1 SPECIFIC BINDING PROTEINS FOR TREATING CANINE ALLERGY IDEXX LABORATORIES, INC. (US) 2000-10-05 WO disclosed