SCHEMBL30176500

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

nearest known ligand 0.66

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	5/20	0.64

▸	BACE1	P56817	1/20	0.62

▸	VIPR2	P41587	7/20	0.61

▸	GLP1R	P43220	2/20	0.57

▸	GCGR	P47871	1/20	0.57

▸	GIPR	P48546	1/20	0.57

▸	PTH1R	Q03431	3/20	0.57

▸	CCKBR	P32239	1/20	0.57

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
SCHEMBL30607359	0.92	VIPR1 (0.66)	VIPR1BACE1VIPR2GLP1RGCGR
SCHEMBL29964966	0.92	PTH1R (0.62)	VIPR1BACE1VIPR2GLP1RPTH1R
SCHEMBL30431840	0.91	BACE1 (0.66)	VIPR1BACE1VIPR2GLP1RGCGR
SCHEMBL29883009	0.91	VIPR1 (0.62)	VIPR1BACE1VIPR2
SCHEMBL30358174	0.91	PTH1R (0.62)	VIPR1BACE1GLP1RPTH1RCCKBR
SCHEMBL29827468	0.90	VIPR1 (0.65)	VIPR1BACE1VIPR2GLP1RGCGR
SCHEMBL30804674	0.90	BACE1 (0.58)	VIPR1BACE1VIPR2GLP1RGCGR
SCHEMBL30437303	0.90	VIPR1 (0.63)	VIPR1BACE1VIPR2GLP1RGCGR
SCHEMBL29686720	0.89	BACE1 (0.69)	VIPR1BACE1VIPR2GLP1RGCGR
SCHEMBL31182595	0.89	GLP1R (0.68)	VIPR1VIPR2GLP1RGCGRGIPR

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