SCHEMBL29836372

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.63

▸	CALCR	P30988	6/20	0.61

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	GLP1R	P43220	1/20	0.60

▸	RAMP3	O60896	2/20	0.59

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	RAMP1	O60894	1/20	0.59

▸	RAMP2	O60895	1/20	0.59

▸	CALCRL	Q16602	1/20	0.59

▸	NTSR1	P30989	1/20	0.58

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	OPRD1	P41143	1/20	0.58

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
SCHEMBL31182761	0.91	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29811050	0.90	NPY2R (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182654	0.90	NPY2R (0.66)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL31182442	0.90	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29678024	0.89	OPRM1 (0.58)	C5AR1CALCR
SCHEMBL29569062	0.89	C5AR1 (0.65)	C5AR1NTSR1OPRD1
SCHEMBL30432875	0.89	CALCR (0.65)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL29667180	0.89	NPY2R (0.56)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL30433090	0.89	CALCR (0.64)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL29522561	0.89	CALCR (0.69)	C5AR1CALCRNPY2RNPY4RNPY5R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11434484-B2	Three-component CRISPR/Cas complex system and uses thereof	THE JACKSON LABORATORY (US)	2022-09-06	—	—	US	disclosed