SCHEMBL29903283

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

nearest known ligand 0.62

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.62

▸	F2	P00734	4/20	0.55

▸	APLNR	P35414	1/20	0.55

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

▸	CCKBR	P32239	2/20	0.54

▸	GLP1R	P43220	2/20	0.54

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	KDM1A	O60341	1/20	0.51

▸	NMBR	P28336	1/20	0.51

▸	GRPR	P30550	1/20	0.51

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

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
SCHEMBL31182671	0.89	CALCR (0.70)	CALCRF2HCRTR1HCRTR2CCKBR
SCHEMBL31295723	0.88	CALCR (0.66)	CALCRF2APLNRGLP1RCRHR1
SCHEMBL31041772	0.88	CALCR (0.62)	CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL30432534	0.87	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CCKBR
SCHEMBL29649209	0.87	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CCKBR
SCHEMBL31672213	0.87	CALCR (0.70)	CALCRF2APLNRGLP1RCRHR1
SCHEMBL29903306	0.87	CALCR (0.66)	CALCRF2HCRTR1HCRTR2CCKBR
SCHEMBL30141845	0.87	APLNR (0.68)	CALCRF2APLNRKDM1A
SCHEMBL29749731	0.87	APLNR (0.68)	CALCRF2APLNRKDM1A
SCHEMBL31041673	0.87	CALCR (0.59)	CALCRF2APLNRHCRTR1HCRTR2

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