SCHEMBL30176485

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	7/20	0.61

▸	VIPR1	P32241	5/20	0.61

▸	TFPI	P10646	1/20	0.61

▸	KEAP1	Q14145	1/20	0.56

▸	HRAS	P01112	1/20	0.55

▸	KRAS	P01116	1/20	0.55

▸	SOS1	Q07889	1/20	0.55

▸	NPY5R	Q15761	3/20	0.55

▸	NPY1R	P25929	2/20	0.55

▸	NPY4R	P50391	2/20	0.55

▸	CCKBR	P32239	1/20	0.55

▸	GLP1R	P43220	1/20	0.55

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
SCHEMBL38664796	0.91	VIPR1 (0.67)	VIPR2VIPR1TFPICCKBRGLP1R
SCHEMBL30432064	0.90	VIPR1 (0.67)	VIPR2VIPR1TFPINPY5RNPY1R
SCHEMBL31683364	0.90	TFPI (0.67)	VIPR2VIPR1TFPIKEAP1
SCHEMBL31182890	0.90	TFPI (0.67)	VIPR2VIPR1TFPICCKBRGLP1R
SCHEMBL30629356	0.89	VIPR1 (0.71)	VIPR2VIPR1TFPIKEAP1CCKBR
SCHEMBL30495662	0.89	TFPI (0.69)	VIPR2VIPR1TFPICCKBRGLP1R
SCHEMBL29797173	0.89	VIPR2 (0.59)	VIPR2VIPR1TFPINPY5RNPY1R
SCHEMBL30478240	0.88	VIPR2 (0.62)	VIPR2VIPR1KEAP1NPY5RNPY1R
SCHEMBL30607476	0.88	TFPI (0.67)	VIPR2VIPR1TFPINPY5RNPY1R
SCHEMBL30495775	0.88	VIPR1 (0.70)	VIPR2VIPR1TFPINPY5RNPY1R

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