SCHEMBL21318133

CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)C(COP(=O)(O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)CC)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	C5AR1	P21730	1/20	0.61

▸	GLP1R	P43220	4/20	0.61

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	NPY2R	P49146	5/20	0.55

▸	NPY4R	P50391	5/20	0.55

▸	NPY5R	Q15761	5/20	0.55

▸	NPY1R	P25929	4/20	0.55

▸	GCGR	P47871	3/20	0.55

▸	APLNR	P35414	1/20	0.55

▸	KEAP1	Q14145	1/20	0.54

▸	CTSL	P07711	1/20	0.54

▸	CTSH	P09668	1/20	0.54

▸	CTSS	P25774	1/20	0.54

▸	CTSK	P43235	1/20	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
Forigerimod SCHEMBL29382270	0.93	CRHR1 (0.67)	CALCRC5AR1GLP1RCRHR1CRHR2
Forigerimod SCHEMBL29430155	0.92	CRHR1 (0.66)	CALCRC5AR1GLP1RCRHR1CRHR2
SCHEMBL30261994	0.92	C5AR1 (0.65)	CALCRC5AR1GLP1RNPY2RNPY4R
SCHEMBL18888624	0.90	C5AR1 (0.60)	CALCRC5AR1GLP1RCRHR1CRHR2
SCHEMBL30565140	0.90	CALCR (0.68)	CALCRC5AR1GLP1RCRHR1CRHR2
SCHEMBL30565138	0.90	CALCR (0.68)	CALCRC5AR1GLP1RCRHR1CRHR2
SCHEMBL19221849	0.88	C5AR1 (0.56)	CALCRC5AR1GLP1RCRHR1CRHR2
SCHEMBL30358206	0.87	CALCR (0.70)	CALCRGLP1RCRHR1CRHR2NPY2R
SCHEMBL31464910	0.87	CALCR (0.71)	CALCRC5AR1GLP1RCRHR1CRHR2
SCHEMBL31182545	0.87	CALCR (0.75)	CALCRGLP1RCRHR1CRHR2NPY2R

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
EP-3229827-B1	MODIFIED PEPTIDES AND THEIR USE FOR TREATING CHRONIC INFLAMMATORY DISEASES	CENTRE NAT RECH SCIENT (FR)	2019-09-04	—	—	EP	disclosed