SCHEMBL30498562

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.60

▸	GLP1R	P43220	4/20	0.55

▸	IL23R	Q5VWK5	3/20	0.55

▸	CALCR	P30988	2/20	0.53

▸	NPY2R	P49146	4/20	0.53

▸	NPY4R	P50391	4/20	0.53

▸	NPY5R	Q15761	4/20	0.53

▸	NPY1R	P25929	3/20	0.53

▸	VIPR1	P32241	1/20	0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL30883214	0.91	GLP1R (0.65)	TFPIGLP1RCALCRVIPR1
SCHEMBL29365490	0.91	TFPI (0.62)	TFPIGLP1RVIPR1
SCHEMBL30874390	0.91	TFPI (0.63)	TFPIGLP1RCALCRVIPR1
SCHEMBL30432766	0.91	TFPI (0.63)	TFPIGLP1RCALCRVIPR1
SCHEMBL31000924	0.91	TFPI (0.64)	TFPIGLP1RCALCRVIPR1
SCHEMBL30861920	0.90	TFPI (0.65)	TFPIGLP1RNPY2RNPY4RNPY5R
SCHEMBL30906588	0.90	TFPI (0.61)	TFPIGLP1RVIPR1
SCHEMBL30836920	0.90	TFPI (0.66)	TFPIGLP1RVIPR1
SCHEMBL31319513	0.89	TFPI (0.59)	TFPIIL23RCALCR
SCHEMBL30432406	0.89	TFPI (0.61)	TFPIGLP1RCALCRVIPR1

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
CN-114736289-B	Chemical synthesis method of hirudin with tyrosine sulfation modification	华南理工大学	2023-07-18	—	—	CN	claimed