SCHEMBL31098044

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.51

▸	F2	P00734	2/20	0.48

▸	CRHR1	P34998	1/20	0.48

▸	CRHR2	Q13324	1/20	0.48

▸	VIPR2	P41587	5/20	0.47

▸	VIPR1	P32241	4/20	0.47

▸	GLP1R	P43220	2/20	0.46

▸	CALCR	P30988	4/20	0.46

▸	CTSD	P07339	1/20	0.46

▸	AGTR1	P30556	1/20	0.45

▸	AGTR2	P50052	1/20	0.45

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
SCHEMBL29654742	0.86	BACE1 (0.59)	BACE1VIPR2VIPR1CTSD
SCHEMBL30240002	0.85	ENPEP (0.43)	BACE1F2VIPR2VIPR1GLP1R
SCHEMBL31147166	0.85	F2 (0.48)	F2CTSD
SCHEMBL9751592	0.84	OPRK1 (0.45)	BACE1CTSD
SCHEMBL9751589	0.84	OPRK1 (0.45)	BACE1CTSD
SCHEMBL31182644	0.84	CALCR (0.54)	BACE1CRHR1CRHR2VIPR2VIPR1
SCHEMBL30209777	0.84	GLP1R (0.50)	BACE1F2CRHR1CRHR2GLP1R
SCHEMBL31147163	0.83	F2 (0.47)	F2CTSD
SCHEMBL30293834	0.83	NTSR2 (0.45)	BACE1F2
SCHEMBL31574018	0.83	BACE1 (0.44)	BACE1CRHR1CRHR2VIPR2VIPR1

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-118852453-A	Incretin analogue, preparation method and application thereof	上海多米瑞生物技术有限公司	2024-10-29	—	—	CN	disclosed