SCHEMBL30176479

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

nearest known ligand 0.67

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	OPRD1	P41143	1/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	GLP1R	P43220	1/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	RAMP3	O60896	5/20	0.56

▸	CALCR	P30988	5/20	0.56

▸	PTH1R	Q03431	1/20	0.55

▸	NPY2R	P49146	3/20	0.55

▸	NPY4R	P50391	3/20	0.55

▸	NPY5R	Q15761	3/20	0.55

▸	NPY1R	P25929	2/20	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
SCHEMBL31182884	0.91	NPY2R (0.65)	MAPK8MAPK9MAPK10GLP1RRAMP3
SCHEMBL30432021	0.89	NPY2R (0.68)	OPRD1KEAP1NPY2RNPY4RNPY5R
Cathelicidin SCHEMBL29350781	0.89	NPY2R (0.65)	KEAP1CALCRPTH1RNPY2RNPY4R
SCHEMBL30712955	0.89	NPY2R (0.58)	MAPK8MAPK9MAPK10OPRD1GLP1R
SCHEMBL31461914	0.88	MAPK8 (0.58)	MAPK8MAPK9MAPK10OPRD1RAMP3
SCHEMBL31711737	0.88	MAPK8 (0.57)	MAPK8MAPK9MAPK10OPRD1KEAP1
SCHEMBL31462017	0.88	NMUR2 (0.57)	MAPK8MAPK9MAPK10OPRD1NPY2R
SCHEMBL31230205	0.87	NPY2R (0.63)	MAPK8MAPK9MAPK10OPRD1KEAP1
SCHEMBL30176416	0.87	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30495779	0.87	NPY2R (0.65)	MAPK8MAPK9MAPK10RAMP3CALCR

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