SCHEMBL30495675

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC)C(C)(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.60

▸	F2	P00734	4/20	0.59

▸	APLNR	P35414	2/20	0.59

▸	TFPI	P10646	3/20	0.57

▸	RAMP1	O60894	1/20	0.57

▸	RAMP2	O60895	1/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	CALCRL	Q16602	1/20	0.57

▸	NPY2R	P49146	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NPY5R	Q15761	3/20	0.56

▸	NPY1R	P25929	2/20	0.56

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
Lusupultide SCHEMBL29359370	0.88	CALCR (0.59)	CALCRF2APLNR
SCHEMBL31296089	0.88	APLNR (0.61)	CALCRF2APLNRRAMP1RAMP2
SCHEMBL29522561	0.87	CALCR (0.69)	CALCRF2TFPINPY2RNPY4R
SCHEMBL30880879	0.86	APLNR (0.66)	CALCRF2APLNRNPY2RNPY4R
SCHEMBL30960478	0.86	CALCR (0.66)	CALCRF2APLNRNPY2RNPY4R
SCHEMBL31182976	0.86	CALCR (0.70)	CALCRF2APLNRNPY2RNPY4R
SCHEMBL31182500	0.86	CALCR (0.72)	CALCRF2APLNRNPY2RNPY4R
SCHEMBL31182896	0.86	CALCR (0.66)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL31182767	0.86	CALCR (0.67)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31182874	0.86	MAPK8 (0.66)	CALCRF2APLNRNPY2RNPY4R

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed