SCHEMBL30140925

C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.43

▸	EGFR	P00533	1/20	0.43

▸	BACE1	P56817	3/20	0.42

▸	RXFP1	Q9HBX9	1/20	0.42

▸	NPY5R	Q15761	6/20	0.41

▸	NPY4R	P50391	6/20	0.41

▸	NPY1R	P25929	5/20	0.41

▸	NPY2R	P49146	3/20	0.41

▸	CTSD	P07339	1/20	0.40

▸	OPRD1	P41143	1/20	0.40

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
SCHEMBL29823853	0.96	EGFR (0.43)	TFPIEGFRBACE1NPY5RNPY4R
SCHEMBL31676591	0.91	TFPI (0.45)	TFPIEGFRRXFP1NPY5RNPY4R
SCHEMBL31676593	0.91	TFPI (0.45)	TFPIEGFRRXFP1NPY5RNPY4R
SCHEMBL29496474	0.91	NPY4R (0.44)	TFPIEGFRBACE1NPY5RNPY4R
SCHEMBL29496430	0.91	NPY4R (0.46)	EGFRBACE1NPY5RNPY4RNPY1R
SCHEMBL29777886	0.91	NPY4R (0.46)	EGFRBACE1NPY5RNPY4RNPY1R
SCHEMBL29496470	0.91	NPY4R (0.46)	EGFRBACE1NPY5RNPY4RNPY1R
SCHEMBL31211768	0.91	NPY4R (0.46)	EGFRBACE1NPY5RNPY4RNPY1R
SCHEMBL31031554	0.90	BACE1 (0.43)	TFPIBACE1NPY5RNPY4RNPY1R
SCHEMBL29496485	0.90	NPY4R (0.44)	EGFRBACE1NPY5RNPY4RNPY1R

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
US-20230050804-A1	USE OF CCDC157 GENE AND MUTANT GENES THEREOF AS MOLECULAR MARKERS IN DIAGNOSIS OF MALE INFERTILITY DISEASES	ZHEJIANG UNIVERSITY (CN)	2023-02-16	—	—	US	disclosed