SCHEMBL30176478

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	2/20	0.62

▸	GLP1R	P43220	8/20	0.61

▸	VIPR1	P32241	3/20	0.60

▸	CALCR	P30988	3/20	0.59

▸	CCKBR	P32239	1/20	0.59

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	VIPR2	P41587	3/20	0.59

▸	TFPI	P10646	1/20	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
SCHEMBL31182663	0.95	CALCR (0.63)	PTH1RGLP1RVIPR1CALCRCCKBR
SCHEMBL30176464	0.94	PTH1R (0.61)	PTH1RGLP1RVIPR1CALCRCCKBR
SCHEMBL30567726	0.94	GLP1R (0.58)	PTH1RGLP1RCALCRCCKBRCRHR1
SCHEMBL30432505	0.93	GLP1R (0.66)	PTH1RGLP1RVIPR1CALCRCCKBR
SCHEMBL30883219	0.93	TFPI (0.67)	GLP1RVIPR1TFPI
SCHEMBL30970990	0.92	GLP1R (0.71)	GLP1RVIPR1CALCRCCKBRVIPR2
SCHEMBL29649225	0.92	GLP1R (0.65)	GLP1RVIPR1VIPR2TFPI
SCHEMBL4380506	0.92	GLP1R (0.62)	PTH1RGLP1RCALCRCCKBRCRHR1
SCHEMBL31182441	0.91	GLP1R (0.66)	GLP1RVIPR1CALCRCCKBRCRHR1
SCHEMBL30567777	0.91	PTH1R (0.61)	PTH1RGLP1RVIPR1CALCRCRHR1

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