Histidine

SCHEMBL9294075

CC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)C(C)C.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

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARD PTGS1 PTGS2 dacA dacB dacC ftsI mrcA mrcB mrdA

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 SCHEMBL9031032	0.93	GHSR (0.31)	—
Histidine SCHEMBL8896145	0.92	—	—
Lysine SCHEMBL5577931	0.87	—	—
Arginine SCHEMBL18042250	0.87	TUBB4A (0.32)	—
Histidine SCHEMBL9294080	0.85	MC4R (0.31)	—
Arginine SCHEMBL18042247	0.83	C5AR1 (0.33)	—
Histidine SCHEMBL9538044	0.83	CRHR1 (0.34)	—
Arginine SCHEMBL18042252	0.82	TUBB4A (0.33)	—
Histidine SCHEMBL9222981	0.81	GSR (0.33)	—
Histidine SCHEMBL9222976	0.81	GSR (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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0557451-A4	CHARACTERIZATION OF PLATELET AGGREGATION DISORDERS	SCRIPPS RESEARCH INST (US)	1994-06-01	—	—	EP	disclosed
EP-0557451-A1	CHARACTERIZATION OF PLATELET AGGREGATION DISORDERS	THE SCRIPPS RESEARCH INSTITUTE (US)	1993-09-01	—	—	EP	disclosed
WO-1992008982-A1	CHARACTERIZATION OF PLATELET AGGREGATION DISORDERS	THE SCRIPPS RESEARCH INSTITUTE (US)	1992-05-29	—	—	WO	disclosed