SCHEMBL29903382

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	5/20	0.60

▸	TACR1	P25103	1/20	0.59

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	IL23R	Q5VWK5	1/20	0.58

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

▸	NMBR	P28336	1/20	0.56

▸	GRPR	P30550	1/20	0.56

▸	GLP1R	P43220	8/20	0.55

▸	GIPR	P48546	6/20	0.55

▸	CCKBR	P32239	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
SCHEMBL30712962	0.89	NPY2R (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31000908	0.88	NPY2R (0.72)	CXCR4MAPK8MAPK9MAPK10NPY1R
SCHEMBL29443917	0.87	CALCR (0.66)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30262102	0.87	CXCR4 (0.64)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31182675	0.86	CALCR (0.65)	CXCR4NMBRGRPRGLP1RGIPR
SCHEMBL31295729	0.86	NMBR (0.63)	CXCR4NMBRGRPRGLP1RCCKBR
SCHEMBL31182930	0.86	CXCR4 (0.62)	CXCR4MAPK8MAPK9MAPK10IL23R
SCHEMBL30690333	0.86	CALCR (0.66)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30690369	0.86	CALCR (0.66)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182631	0.85	CXCR4 (0.66)	CXCR4IL23RNPY1RNPY2RNPY4R

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-107325188-B	Construction method and application of CHO cell strain of porcine serum protein fused with porcine circovirus Cap2 protein	唐山怡安生物工程有限公司	2022-08-23	—	—	CN	disclosed