SCHEMBL29934240

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.61

▸	CALCR	P30988	4/20	0.59

▸	CTSL	P07711	3/20	0.56

▸	CTSS	P25774	3/20	0.56

▸	CTSK	P43235	3/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	GLP1R	P43220	8/20	0.54

▸	GCGR	P47871	8/20	0.54

▸	GIPR	P48546	5/20	0.52

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
SCHEMBL30231309	0.97	APLNR (0.62)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL30567779	0.91	CALCR (0.64)	APLNRCALCRMAPK8MAPK9MAPK10
SCHEMBL31182945	0.90	CALCR (0.68)	APLNRCALCRMAPK8MAPK9MAPK10
SCHEMBL29934195	0.89	GLP1R (0.51)	APLNRCALCRGLP1RGCGRGIPR
SCHEMBL30534079	0.88	APLNR (0.59)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL31255142	0.88	CALCR (0.66)	APLNRCALCRMAPK8MAPK9MAPK10
SCHEMBL30219087	0.87	CALCR (0.71)	APLNRCALCRGLP1RGCGRGIPR
SCHEMBL31182836	0.87	GLP1R (0.59)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL30974054	0.87	CALCRL (0.56)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL30974445	0.86	CALCRL (0.55)	APLNRCALCRCTSLCTSSCTSK

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-4076500-A1	METHODS OF TREATING VASCULAR LESIONS AND MALFORMATIONS	Blaze Bioscience, Inc. (US)	2022-10-26	—	—	EP	disclosed