SCHEMBL30353294

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	1/20	0.49

▸	DDOST	P39656	5/20	0.37

▸	DPP7	Q9UHL4	1/20	0.36

▸	CTSC	P53634	3/20	0.36

▸	BACE1	P56817	1/20	0.36

▸	PRCP	P42785	1/20	0.34

▸	CYP1A2	P05177	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

▸	CYP2D6	P10635	1/20	0.34

▸	CYP2C19	P33261	1/20	0.34

▸	MEN1	O00255	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

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
SCHEMBL29644738	0.91	CALCRL (0.45)	CALCRLDDOSTBACE1MEN1KMT2A
SCHEMBL30005793	0.88	CALCRL (0.40)	CALCRLDPP7CTSCBACE1PRCP
SCHEMBL30062703	0.86	CALCRL (0.51)	CALCRLBACE1
SCHEMBL30454977	0.86	CALCRL (0.43)	CALCRLDPP7CTSCMEN1KMT2A
SCHEMBL30052733	0.85	DPP7 (0.44)	CALCRLDPP7CTSCBACE1PRCP
SCHEMBL29531955	0.85	DPP7 (0.44)	CALCRLDPP7CTSCBACE1PRCP
SCHEMBL30548100	0.84	DPP7 (0.42)	CALCRLDPP7CTSCPRCPCYP1A2
SCHEMBL30139035	0.84	DPP7 (0.41)	CALCRLDPP7CTSCPRCPCYP1A2
SCHEMBL29608892	0.84	DPP7 (0.42)	DPP7CTSCPRCPCYP1A2CYP3A4
SCHEMBL31122253	0.83	CALCRL (0.45)	CALCRLDDOSTDPP7CTSCPRCP

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-113912675-B	Centipede polypeptide with analgesic activity and application thereof	中国药科大学	2023-04-11	—	—	CN	disclosed