SCHEMBL30176465

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.61

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	KDM1A	O60341	2/20	0.60

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	OPRM1	P35372	2/20	0.59

▸	OPRD1	P41143	2/20	0.59

▸	OPRK1	P41145	2/20	0.59

▸	CALCR	P30988	3/20	0.58

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
SCHEMBL31005079	0.89	TFPI (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30974100	0.89	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30974483	0.89	TFPI (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30432109	0.88	CALCR (0.69)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30017187	0.88	NPY2R (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31005066	0.88	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31182523	0.86	NPY2R (0.65)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31232439	0.86	OPRM1 (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31000910	0.86	TFPI (0.62)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495740	0.86	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20230272394-A1	RNA-DIRECTED DNA CLEAVAGE BY THE Cas9-crRNA COMPLEX	VILNIUS UNIVERSITY (LT)	2023-08-31	—	—	US	disclosed
US-11555187-B2	RNA-directed DNA cleavage by the Cas9-crRNA complex	VILNIUS UNIVERSITY (LT)	2023-01-17	—	—	US	disclosed