SCHEMBL30176441

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.64

▸	VIPR2	P41587	6/20	0.63

▸	VIPR1	P32241	5/20	0.63

▸	KEAP1	Q14145	1/20	0.57

▸	ECE1	P42892	1/20	0.57

▸	GLP1R	P43220	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

▸	PTH1R	Q03431	1/20	0.57

▸	HRAS	P01112	1/20	0.56

▸	KRAS	P01116	1/20	0.56

▸	SOS1	Q07889	1/20	0.56

▸	NPY1R	P25929	2/20	0.56

▸	NPY2R	P49146	2/20	0.56

▸	NPY4R	P50391	2/20	0.56

▸	NPY5R	Q15761	2/20	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
SCHEMBL29489273	0.92	TFPI (0.73)	TFPIVIPR2VIPR1ECE1GLP1R
SCHEMBL30198769	0.92	TFPI (0.65)	TFPIVIPR2VIPR1PTH1R
SCHEMBL30176419	0.91	VIPR1 (0.68)	TFPIVIPR2VIPR1ECE1GLP1R
SCHEMBL29387006	0.91	TFPI (0.65)	TFPIVIPR2VIPR1ECE1GLP1R
SCHEMBL29519384	0.91	TFPI (0.68)	TFPIVIPR2VIPR1ECE1GLP1R
SCHEMBL30176471	0.91	VIPR2 (0.63)	TFPIVIPR2VIPR1KEAP1ECE1
SCHEMBL30262056	0.90	KEAP1 (0.62)	VIPR2VIPR1KEAP1GLP1RPTH1R
SCHEMBL30633108	0.90	KISS1R (0.61)	TFPIVIPR2VIPR1GLP1R
SCHEMBL31182801	0.90	VIPR2 (0.67)	TFPIVIPR2VIPR1ECE1GLP1R
SCHEMBL30176475	0.90	TFPI (0.64)	TFPIVIPR2VIPR1GLP1R

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