SCHEMBL29836442

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

nearest known ligand 0.59

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.55

▸	IL23R	Q5VWK5	2/20	0.51

▸	PTH1R	Q03431	3/20	0.51

▸	BACE1	P56817	3/20	0.50

▸	BACE2	Q9Y5Z0	2/20	0.50

▸	GRPR	P30550	1/20	0.49

▸	OPRM1	P35372	2/20	0.48

▸	OPRD1	P41143	2/20	0.48

▸	OPRK1	P41145	2/20	0.48

▸	CCKBR	P32239	1/20	0.48

▸	GLP1R	P43220	1/20	0.48

▸	CRHR1	P34998	1/20	0.48

▸	CRHR2	Q13324	1/20	0.48

▸	VIPR2	P41587	1/20	0.47

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
SCHEMBL30083769	0.90	TFPI (0.63)	TFPIIL23RPTH1ROPRM1OPRD1
SCHEMBL29811053	0.89	IL23R (0.59)	TFPIIL23RBACE1BACE2OPRM1
SCHEMBL30365301	0.89	NPY4R (0.53)	IL23RBACE1BACE2
SCHEMBL30903291	0.89	TFPI (0.63)	TFPIIL23RPTH1RBACE1CCKBR
SCHEMBL30903271	0.88	IL23R (0.53)	TFPIIL23RBACE1BACE2OPRM1
SCHEMBL29811062	0.87	IL23R (0.59)	TFPIIL23RBACE1BACE2OPRM1
SCHEMBL29856025	0.87	TFPI (0.56)	TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL30880889	0.86	BACE1 (0.54)	TFPIBACE1BACE2GLP1RCRHR1
SCHEMBL30495786	0.86	TFPI (0.58)	TFPIPTH1RBACE1CCKBRGLP1R
SCHEMBL31182868	0.86	VIPR2 (0.61)	TFPIPTH1RBACE1CCKBRGLP1R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11434484-B2	Three-component CRISPR/Cas complex system and uses thereof	THE JACKSON LABORATORY (US)	2022-09-06	—	—	US	disclosed