SCHEMBL29945131

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NMBR	P28336	2/20	0.62

▸	GRPR	P30550	2/20	0.62

▸	C5AR1	P21730	2/20	0.59

▸	GLP1R	P43220	5/20	0.57

▸	CCKBR	P32239	2/20	0.57

▸	CTSL	P07711	3/20	0.56

▸	CTSS	P25774	3/20	0.56

▸	CTSK	P43235	3/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	CXCR4	P61073	2/20	0.56

▸	CALCR	P30988	4/20	0.55

▸	GCGR	P47871	3/20	0.54

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
SCHEMBL31475697	0.95	NMBR (0.60)	NMBRGRPRC5AR1GLP1RCCKBR
SCHEMBL31725226	0.94	NMBR (0.60)	NMBRGRPRC5AR1GLP1RCCKBR
SCHEMBL30460317	0.92	CTSL (0.59)	NMBRGRPRC5AR1GLP1RCCKBR
SCHEMBL30531928	0.91	C5AR1 (0.60)	NMBRGRPRC5AR1GLP1RCCKBR
SCHEMBL31475686	0.91	CTSL (0.59)	NMBRGRPRC5AR1GLP1RCCKBR
SCHEMBL31475687	0.89	CTSL (0.66)	NMBRGRPRC5AR1GLP1RCTSL
SCHEMBL30767709	0.89	GLP1R (0.61)	NMBRGRPRC5AR1GLP1RCCKBR
SCHEMBL29273741	0.88	CXCR4 (0.66)	NMBRGRPRC5AR1GLP1RCTSL
SCHEMBL31475683	0.87	CXCR4 (0.55)	NMBRGRPRCTSLCTSSCTSK
SCHEMBL30767696	0.87	GLP1R (0.60)	NMBRGRPRC5AR1GLP1RCCKBR

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-107106686-B	Combination therapy for HBV and HDV infection	MYR有限公司	2022-09-27	—	—	CN	disclosed