Histidine

SCHEMBL7765125

CC(C)[C@H](N)C(=O)O.C[C@@H](OC(=O)[C@@H]1CCCN1)[C@H](N)C(=O)OC(=O)[C@@H](N)CO.C[C@@H](OC(=O)[C@@H]1CCCN1)[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)OC[C@H](N)C(=O)O.C[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CC(N)=O.NCC(=O)O.NCC(=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

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.

Compound	similarity	top predicted	shared targets
Histidine SCHEMBL3750030	0.83	KLK7 (0.30)	—
Histidine SCHEMBL2513267	0.83	—	—
Arginine SCHEMBL181305	0.82	APLNR (0.31)	—
Arginine SCHEMBL18042252	0.81	TUBB4A (0.33)	—
Arginine SCHEMBL18042247	0.81	C5AR1 (0.33)	—
Arginine SCHEMBL18042251	0.81	TUBB4A (0.35)	—
Arginine SCHEMBL18042249	0.81	C5AR1 (0.33)	—
Histidine SCHEMBL7763228	0.80	—	—
Arginine SCHEMBL18042259	0.80	TUBB4A (0.33)	—
Arginine SCHEMBL27671351	0.80	TUBB4A (0.32)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1096257-A2	Method, device and dye labelled peptide for the detection of molecules	Sauer, Markus (DE)	2001-05-02	—	—	EP	disclosed