SCHEMBL30176412

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.63

▸	TFPI	P10646	4/20	0.63

▸	APLNR	P35414	1/20	0.63

▸	F2	P00734	4/20	0.62

▸	NMUR2	Q9GZQ4	1/20	0.61

▸	NMUR1	Q9HB89	1/20	0.61

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	CALCR	P30988	3/20	0.61

▸	CXCR4	P61073	1/20	0.60

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
SCHEMBL30433528	0.92	MC4R (0.63)	MC4RAPLNRNPY1RNPY2RNPY4R
SCHEMBL30432430	0.92	NPY2R (0.64)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL29771673	0.92	NPY2R (0.65)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31182767	0.91	CALCR (0.67)	F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL29949425	0.90	CALCR (0.67)	TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL30436896	0.90	CALCR (0.68)	MC4RTFPINPY1RNPY2RNPY4R
SCHEMBL30431303	0.90	RAMP3 (0.61)	MC4RTFPIAPLNRNPY1RNPY2R
SCHEMBL30058340	0.90	F2 (0.63)	APLNRF2NPY1RNPY2RNPY4R
SCHEMBL31182896	0.90	CALCR (0.66)	TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL29638066	0.89	MC4R (0.61)	MC4RF2NMUR2NMUR1NPY1R

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