SCHEMBL30140917

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

nearest known ligand 0.51

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.51

▸	RXFP1	Q9HBX9	2/20	0.51

▸	NPY5R	Q15761	4/20	0.42

▸	NPY4R	P50391	4/20	0.42

▸	NPY1R	P25929	3/20	0.42

▸	NPY2R	P49146	1/20	0.42

▸	KEAP1	Q14145	2/20	0.42

▸	GRPR	P30550	2/20	0.41

▸	CTSD	P07339	1/20	0.41

▸	BACE1	P56817	1/20	0.41

▸	RAMP3	O60896	1/20	0.40

▸	CALCR	P30988	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
SCHEMBL30596211	0.86	NPY4R (0.46)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL30578726	0.85	TFPI (0.49)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL11829756	0.85	NPY4R (0.49)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL11833339	0.85	NPY4R (0.47)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL30607321	0.85	RXFP1 (0.60)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL10336105	0.84	RXFP1 (0.52)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL10336101	0.84	RXFP1 (0.52)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL31688310	0.84	TFPI (0.57)	TFPIRXFP1CTSDBACE1RAMP3
SCHEMBL11826950	0.84	NPY4R (0.49)	TFPIRXFP1NPY5RNPY4RNPY1R
SCHEMBL8062301	0.84	KEAP1 (0.45)	TFPIRXFP1NPY5RNPY4RNPY1R

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