SCHEMBL29637985

CC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.45

▸	OPRM1	P35372	6/20	0.43

▸	OPRK1	P41145	6/20	0.43

▸	ITGB3	P05106	3/20	0.43

▸	ITGA2B	P08514	3/20	0.43

▸	CAPN1	P07384	4/20	0.42

▸	F2	P00734	1/20	0.41

▸	NMUR2	Q9GZQ4	1/20	0.41

▸	NMUR1	Q9HB89	1/20	0.41

▸	ACE2	Q9BYF1	1/20	0.41

▸	GRB2	P62993	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
SCHEMBL13448495	0.92	ITGB3 (0.49)	APLNROPRM1OPRK1ITGB3ITGA2B
SCHEMBL13795060	0.92	ITGB3 (0.49)	APLNROPRM1OPRK1ITGB3ITGA2B
SCHEMBL28665808	0.92	ITGB3 (0.49)	APLNROPRM1OPRK1ITGB3ITGA2B
SCHEMBL29637996	0.90	APLNR (0.46)	APLNROPRM1OPRK1ITGB3ITGA2B
SCHEMBL13083553	0.86	APLNR (0.43)	APLNROPRM1OPRK1CAPN1NMUR2
SCHEMBL30342385	0.84	CAPN1 (0.45)	APLNRITGB3ITGA2BCAPN1F2
SCHEMBL15976537	0.82	APLNR (0.41)	APLNROPRM1OPRK1CAPN1GRB2
SCHEMBL10702151	0.79	DPP4 (0.52)	OPRM1ITGB3ITGA2BF2
SCHEMBL10702146	0.79	DPP4 (0.52)	OPRM1ITGB3ITGA2BF2
SCHEMBL30361589	0.78	NTSR2 (0.52)	—

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
WO-2022120791-A1	NOVEL USE OF SELEPRAVASTATIN	兆科药业（广州）有限公司	2022-06-16	—	—	WO	disclosed