SCHEMBL30176471

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

nearest known ligand 0.69

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	6/20	0.63

▸	VIPR1	P32241	5/20	0.63

▸	IL23R	Q5VWK5	2/20	0.60

▸	KEAP1	Q14145	2/20	0.60

▸	GLP1R	P43220	3/20	0.59

▸	CCKBR	P32239	1/20	0.59

▸	PTH1R	Q03431	1/20	0.58

▸	TFPI	P10646	1/20	0.56

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	1/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

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
SCHEMBL29387437	0.95	VIPR2 (0.61)	VIPR2VIPR1IL23RKEAP1GLP1R
SCHEMBL30262056	0.93	KEAP1 (0.62)	VIPR2VIPR1KEAP1GLP1RCCKBR
SCHEMBL31182762	0.92	VIPR1 (0.62)	VIPR2VIPR1GLP1RCCKBRPTH1R
SCHEMBL29403715	0.91	VIPR1 (0.72)	VIPR2VIPR1GLP1RCCKBRPTH1R
SCHEMBL31182635	0.91	GLP1R (0.64)	VIPR2VIPR1GLP1RCCKBRPTH1R
SCHEMBL31174230	0.91	PTH1R (0.63)	VIPR2VIPR1GLP1RCCKBRPTH1R
SCHEMBL31498888	0.91	TFPI (0.62)	VIPR2VIPR1IL23RGLP1RCCKBR
SCHEMBL30176441	0.91	TFPI (0.64)	VIPR2VIPR1KEAP1GLP1RPTH1R
SCHEMBL30432173	0.90	VIPR1 (0.69)	VIPR2VIPR1GLP1RCCKBRPTH1R
SCHEMBL30495775	0.89	VIPR1 (0.70)	VIPR2VIPR1GLP1RTFPIECE1

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