SCHEMBL30444134

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.63

▸	C5AR1	P21730	1/20	0.61

▸	CALCR	P30988	4/20	0.61

▸	F2	P00734	4/20	0.59

▸	CXCR4	P61073	1/20	0.57

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	GLP1R	P43220	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
SCHEMBL30444321	0.98	APLNR (0.63)	APLNRC5AR1CALCRF2CXCR4
SCHEMBL29767747	0.95	CALCR (0.64)	APLNRC5AR1CALCRF2CXCR4
SCHEMBL30008485	0.94	CALCR (0.62)	APLNRC5AR1CALCRF2CXCR4
SCHEMBL29767745	0.93	CALCR (0.63)	APLNRC5AR1CALCRF2CXCR4
SCHEMBL31691514	0.92	APLNR (0.62)	APLNRC5AR1CALCRF2CXCR4
SCHEMBL30607457	0.91	CALCR (0.65)	APLNRC5AR1CALCRF2NPY1R
SCHEMBL30495635	0.91	NPY2R (0.66)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30432875	0.90	CALCR (0.65)	APLNRC5AR1CALCRF2NPY1R
SCHEMBL31691539	0.90	APLNR (0.61)	APLNRC5AR1CALCRF2CXCR4
SCHEMBL29416154	0.90	APLNR (0.60)	APLNRC5AR1CALCRF2CXCR4

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
CN-116457000-A	Conjugated hepcidin mimetics	普罗塔格尼斯特治疗股份有限公司	2023-07-18	—	—	CN	disclosed