SCHEMBL18888799

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NC)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.60

▸	CALCR	P30988	5/20	0.52

▸	RAMP1	O60894	1/20	0.52

▸	RAMP2	O60895	1/20	0.52

▸	RAMP3	O60896	1/20	0.52

▸	CALCRL	Q16602	1/20	0.52

▸	EP300	Q09472	1/20	0.51

▸	HIF1A	Q16665	1/20	0.51

▸	GLP1R	P43220	1/20	0.51

▸	NPY2R	P49146	7/20	0.49

▸	NPY4R	P50391	7/20	0.49

▸	NPY5R	Q15761	7/20	0.49

▸	NPY1R	P25929	5/20	0.49

▸	MC4R	P32245	1/20	0.49

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
SCHEMBL18888801	0.97	C5AR1 (0.60)	C5AR1CALCRRAMP1RAMP2RAMP3
SCHEMBL18888624	0.94	C5AR1 (0.60)	C5AR1CALCRRAMP1RAMP2RAMP3
SCHEMBL19221754	0.94	C5AR1 (0.56)	C5AR1CALCRRAMP1RAMP2RAMP3
SCHEMBL18888496	0.94	C5AR1 (0.58)	C5AR1CALCRRAMP1RAMP2RAMP3
SCHEMBL18888623	0.90	C5AR1 (0.58)	C5AR1CALCRRAMP1RAMP2RAMP3
SCHEMBL19221849	0.89	C5AR1 (0.56)	C5AR1CALCRRAMP1RAMP2RAMP3
SCHEMBL19221756	0.88	C5AR1 (0.52)	C5AR1CALCRRAMP1RAMP2RAMP3
SCHEMBL23895415	0.86	C5AR1 (0.47)	C5AR1GLP1R
SCHEMBL21318133	0.85	CALCR (0.62)	C5AR1CALCRGLP1RNPY2RNPY4R
SCHEMBL23895427	0.84	C5AR1 (0.45)	C5AR1GLP1RNPY2RNPY4RNPY5R

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
US-9657072-B2	Modified peptides and their use for treating autoimmune diseases	CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR)	2017-05-23	—	—	US	disclosed