SCHEMBL30176447

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

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	6/20	0.65

▸	TFPI	P10646	1/20	0.63

▸	VIPR2	P41587	8/20	0.62

▸	KISS1R	Q969F8	2/20	0.60

▸	GLP1R	P43220	6/20	0.56

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	1/20	0.56

▸	PTH1R	Q03431	1/20	0.56

▸	GCGR	P47871	1/20	0.55

▸	GIPR	P48546	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
SCHEMBL30433086	0.94	TFPI (0.64)	VIPR1TFPIVIPR2KISS1RGLP1R
SCHEMBL31182801	0.93	VIPR2 (0.67)	VIPR1TFPIVIPR2KISS1RGLP1R
SCHEMBL31277042	0.91	VIPR2 (0.66)	VIPR1TFPIVIPR2GLP1RECE1
SCHEMBL30512567	0.91	VIPR1 (0.60)	VIPR1TFPIVIPR2KISS1RPTH1R
SCHEMBL31430935	0.91	KISS1R (0.60)	VIPR1TFPIVIPR2KISS1R
SCHEMBL30607318	0.91	VIPR1 (0.65)	VIPR1TFPIVIPR2KISS1RGLP1R
SCHEMBL32681425	0.90	VIPR1 (0.71)	VIPR1TFPIVIPR2KISS1RGLP1R
SCHEMBL29489541	0.90	VIPR1 (0.63)	VIPR1TFPIVIPR2KISS1RGLP1R
SCHEMBL29387006	0.90	TFPI (0.65)	VIPR1TFPIVIPR2GLP1RECE1
SCHEMBL30910840	0.90	TFPI (0.67)	VIPR1TFPIVIPR2KISS1R

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