SCHEMBL30271990

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.67

▸	GLP1R	P43220	7/20	0.61

▸	VIPR1	P32241	1/20	0.58

▸	BACE1	P56817	1/20	0.58

▸	BACE2	Q9Y5Z0	1/20	0.58

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	1/20	0.56

▸	NR3C1	P04150	1/20	0.56

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
SCHEMBL30271991	0.99	TFPI (0.66)	TFPIGLP1RVIPR1NPY1RNPY2R
SCHEMBL30836920	0.98	TFPI (0.66)	TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30861920	0.97	TFPI (0.65)	TFPIGLP1RVIPR1BACE1BACE2
SCHEMBL30120636	0.94	TFPI (0.66)	TFPIGLP1RVIPR1BACE1BACE2
SCHEMBL30429902	0.94	TFPI (0.68)	TFPIGLP1RVIPR1BACE1BACE2
SCHEMBL29373682	0.93	TFPI (0.68)	TFPIGLP1RVIPR1BACE1BACE2
SCHEMBL30721553	0.93	TFPI (0.66)	TFPIGLP1RVIPR1BACE1BACE2
SCHEMBL30571148	0.93	TFPI (0.61)	TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30721600	0.92	TFPI (0.64)	TFPIGLP1RVIPR1BACE1BACE2
SCHEMBL29526062	0.92	TFPI (0.64)	TFPIGLP1RBACE1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4380962-A1	PROCESS FOR THE PREPARATION OF SEMAGLUTIDE	MSN Laboratories Private Limited, R&D Center (IN)	2024-06-12	—	—	EP	claimed
WO-2023012829-A1	PROCESS FOR THE PREPARATION OF SEMAGLUTIDE	MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN)	2023-02-09	—	—	WO	claimed