SCHEMBL31041761

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

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

▸	C5AR1	P21730	2/20	0.59

▸	APLNR	P35414	1/20	0.53

▸	HCRTR1	O43613	1/20	0.53

▸	HCRTR2	O43614	1/20	0.53

▸	F2	P00734	4/20	0.53

▸	REN	P00797	1/20	0.53

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	CCKBR	P32239	2/20	0.52

▸	GLP1R	P43220	2/20	0.52

▸	NMBR	P28336	1/20	0.51

▸	GRPR	P30550	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
SCHEMBL31041690	0.97	CALCR (0.59)	CALCRC5AR1APLNRHCRTR1HCRTR2
SCHEMBL31041673	0.96	CALCR (0.59)	CALCRC5AR1APLNRHCRTR1HCRTR2
SCHEMBL31041741	0.95	CALCR (0.65)	CALCRC5AR1APLNRHCRTR1HCRTR2
SCHEMBL31041722	0.92	CALCR (0.62)	CALCRC5AR1APLNRHCRTR1HCRTR2
SCHEMBL31041772	0.91	CALCR (0.62)	CALCRC5AR1APLNRHCRTR1HCRTR2
SCHEMBL31041751	0.91	CALCR (0.52)	CALCRC5AR1APLNRHCRTR1HCRTR2
SCHEMBL31041749	0.89	CALCR (0.52)	CALCRC5AR1CRHR1CRHR2GLP1R
SCHEMBL31041721	0.88	CALCR (0.53)	CALCRC5AR1CRHR1CRHR2GLP1R
SCHEMBL31041755	0.88	CALCR (0.48)	CALCRC5AR1APLNRHCRTR1HCRTR2
SCHEMBL31041697	0.87	F2 (0.48)	CALCRC5AR1APLNRHCRTR1HCRTR2

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-118184747-A	Polypeptide with breast cancer resisting activity and application thereof	苏州青锐生物科技有限公司	2024-06-14	—	—	CN	disclosed