SCHEMBL29794830

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

nearest known ligand 0.76

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.76

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	F2	P00734	4/20	0.60

▸	APLNR	P35414	1/20	0.60

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	GLP1R	P43220	4/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	NMBR	P28336	1/20	0.58

▸	GRPR	P30550	1/20	0.58

▸	CCKBR	P32239	1/20	0.57

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
SCHEMBL31182637	0.92	CALCR (0.77)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30658343	0.90	CALCR (0.81)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL6437853	0.90	CALCR (0.73)	CALCRCRHR1CRHR2APLNRGLP1R
SCHEMBL29895442	0.90	CALCR (0.73)	CALCRCRHR1CRHR2APLNRGLP1R
SCHEMBL30432534	0.89	CALCR (0.76)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30495663	0.89	F2 (0.71)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30932076	0.88	CALCR (0.82)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30712968	0.88	CALCR (0.75)	CALCRCRHR1CRHR2F2APLNR
SCHEMBL30432602	0.88	CALCR (0.67)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL31653878	0.88	CALCR (0.75)	CALCRCRHR1CRHR2F2APLNR

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-114773427-A	Method for purifying polypeptide containing cysteine	江苏吉泰肽业科技有限公司	2022-07-22	—	—	CN	disclosed