SCHEMBL30176448

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC

nearest known ligand 0.71

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	8/20	0.64

▸	F2	P00734	4/20	0.63

▸	OPRM1	P35372	1/20	0.62

▸	NTSR1	P30989	2/20	0.61

▸	CALCR	P30988	1/20	0.59

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
SCHEMBL30432109	0.91	CALCR (0.69)	F2CALCR
SCHEMBL30437162	0.90	F2 (0.60)	OPRD1F2CALCR
SCHEMBL30432347	0.90	F2 (0.62)	OPRD1F2OPRM1NTSR1CALCR
SCHEMBL30262116	0.90	F2 (0.62)	OPRD1F2NTSR1CALCR
SCHEMBL30176420	0.90	NPY2R (0.68)	F2CALCR
SCHEMBL30432021	0.89	NPY2R (0.68)	OPRD1
SCHEMBL31182911	0.89	CALCR (0.65)	OPRD1F2OPRM1CALCR
SCHEMBL30218808	0.89	CALCR (0.62)	OPRD1F2NTSR1CALCR
SCHEMBL31182523	0.89	NPY2R (0.65)	F2CALCR
SCHEMBL31598484	0.89	OPRD1 (0.65)	OPRD1F2NTSR1

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