SCHEMBL30726603

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.58

▸	KEAP1	Q14145	1/20	0.57

▸	CALCR	P30988	4/20	0.56

▸	GLP1R	P43220	6/20	0.50

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

▸	EP300	Q09472	1/20	0.49

▸	HIF1A	Q16665	1/20	0.49

▸	GCGR	P47871	5/20	0.48

▸	GIPR	P48546	5/20	0.48

▸	CTSL	P07711	2/20	0.48

▸	CTSS	P25774	2/20	0.48

▸	CTSK	P43235	2/20	0.48

▸	CTSH	P09668	1/20	0.48

▸	CXCR4	P61073	1/20	0.48

▸	NPY2R	P49146	1/20	0.47

▸	NPY4R	P50391	1/20	0.47

▸	NPY5R	Q15761	1/20	0.47

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
SCHEMBL30431993	0.90	CALCR (0.62)	APLNRKEAP1CALCRGLP1RCRHR1
SCHEMBL31000911	0.90	APLNR (0.58)	APLNRCALCRNPY2RNPY4RNPY5R
SCHEMBL10492942	0.86	CALCR (0.64)	KEAP1CALCRGLP1RCRHR1CRHR2
SCHEMBL31000899	0.86	CALCR (0.69)	APLNRKEAP1CALCRGLP1RCRHR1
SCHEMBL30567004	0.86	CALCR (0.61)	APLNRKEAP1CALCRGLP1RCRHR1
SCHEMBL30432548	0.85	CALCR (0.63)	APLNRKEAP1CALCRGLP1RCRHR1
SCHEMBL29430197	0.85	CALCR (0.70)	APLNRKEAP1CALCRGLP1RCRHR1
SCHEMBL30567003	0.85	CALCR (0.67)	APLNRKEAP1CALCRGLP1RCRHR1
SCHEMBL30495742	0.85	CALCR (0.69)	APLNRKEAP1CALCRGLP1RCRHR1
SCHEMBL30262021	0.85	APLNR (0.57)	APLNRCALCRGLP1RCRHR1CRHR2

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
WO-2024020063-A2	ANTI-HRF ANTIBODIES	LA JOLLA INSTITUTE FOR IMMUNOLOGY (US)	2024-01-25	—	—	WO	disclosed