SCHEMBL29904607

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.62

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	NMBR	P28336	2/20	0.60

▸	GRPR	P30550	2/20	0.60

▸	GLP1R	P43220	5/20	0.59

▸	GCGR	P47871	4/20	0.59

▸	CTSL	P07711	2/20	0.59

▸	CTSS	P25774	2/20	0.59

▸	CTSK	P43235	2/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	KISS1R	Q969F8	3/20	0.59

▸	CXCR4	P61073	2/20	0.58

▸	RAMP3	O60896	1/20	0.58

▸	CALCR	P30988	1/20	0.58

▸	GIPR	P48546	1/20	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
SCHEMBL29504116	0.98	C5AR1 (0.64)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29904606	0.95	NMBR (0.60)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30392901	0.89	C5AR1 (0.65)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29429574	0.88	GLP1R (0.69)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30392169	0.88	C5AR1 (0.66)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182493	0.87	GLP1R (0.67)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262205	0.87	CTSL (0.65)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29965030	0.87	C5AR1 (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29459900	0.86	C5AR1 (0.65)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30305022	0.86	NPY2R (0.66)	NPY1RNPY2RNPY4RNPY5RKISS1R

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-20220315625-A1	LUNG-SPECIFIC TARGETING-PEPTIDE (LTP), COMPOSITIONS, AND USES THEREOF	UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION	2022-10-06	—	—	US	disclosed