Histidine

Histidine

SCHEMBL8084688

NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccc(OC(=O)[C@@H](N)CS)cc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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 SCHEMBL6511983 0.90 ITGB3 (0.32)
Tyrosine SCHEMBL6511987 0.88 SLC7A5 (0.36)
Proline SCHEMBL7630910 0.86 ITGB3 (0.31)
Histidine SCHEMBL6554680 0.85
Histidine SCHEMBL27576520 0.84
Tyrosine SCHEMBL6554731 0.84 SLC7A5 (0.36)
Histidine SCHEMBL27501345 0.84 ALOX15 (0.30)
Tyrosine SCHEMBL7630915 0.84 SLC7A5 (0.39)
Tyrosine SCHEMBL6554735 0.83 SLC7A5 (0.39)
Tyrosine SCHEMBL6554685 0.81 ITGA4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034187-A1 $i(IN VITRO) AND $i(IN VIVO) GROWTH-PROMOTING PROTEINS AND PEPTIDES FOR KIDNEY EPITHELIAL CELLS ARCH DEVELOPMENT CORPORATION (US) 2000-09-13 EP claimed
WO-1999026974-A1 IN VITRO AND IN VIVO GROWTH-PROMOTING PROTEINS AND PEPTIDES FOR KIDNEY EPITHELIAL CELLS ARCH DEVELOPMENT CORPORATION (US) 1999-06-03 WO claimed