SCHEMBL29659740

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	2/20	0.52

▸	PSEN1	P49768	3/20	0.48

▸	PSEN2	P49810	3/20	0.48

▸	APH1B	Q8WW43	3/20	0.48

▸	NCSTN	Q92542	3/20	0.48

▸	APH1A	Q96BI3	3/20	0.48

▸	PSENEN	Q9NZ42	3/20	0.48

▸	NPY4R	P50391	4/20	0.47

▸	NPY1R	P25929	3/20	0.47

▸	NPY2R	P49146	2/20	0.47

▸	NPY5R	Q15761	2/20	0.47

▸	GLP1R	P43220	2/20	0.47

▸	SCTR	P47872	1/20	0.47

▸	NR3C1	P04150	2/20	0.47

▸	PTH1R	Q03431	1/20	0.46

▸	VIPR1	P32241	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
SCHEMBL29659796	0.92	TFPI (0.53)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29659798	0.92	TFPI (0.53)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29659735	0.87	TFPI (0.57)	TFPIPSEN1PSEN2APH1BNCSTN
SCHEMBL29659738	0.84	NPY4R (0.44)	NPY4RNPY1RNPY2RNPY5RPTH1R
SCHEMBL29397176	0.82	NPY4R (0.58)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL32664689	0.82	NPY4R (0.68)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31473355	0.82	NPY4R (0.61)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30371577	0.81	TFPI (0.53)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29993329	0.81	NPY4R (0.55)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29993768	0.81	NPY4R (0.55)	TFPINPY4RNPY1RNPY2RNPY5R

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-109942714-B	Functional polypeptide and application	中国药科大学	2022-07-08	—	—	CN	disclosed