SCHEMBL29904606

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](CO)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](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	NMBR	P28336	2/20	0.60

▸	GRPR	P30550	2/20	0.60

▸	KISS1R	Q969F8	4/20	0.56

▸	C5AR1	P21730	2/20	0.56

▸	CAPN1	P07384	2/20	0.55

▸	CTSB	P07858	2/20	0.55

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	CXCL8	P10145	2/20	0.54

▸	F2	P00734	1/20	0.53

▸	GLP1R	P43220	3/20	0.53

▸	GCGR	P47871	3/20	0.53

▸	PTGS1	P23219	1/20	0.53

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
SCHEMBL29904607	0.95	C5AR1 (0.62)	NMBRGRPRKISS1RC5AR1NPY1R
SCHEMBL29504116	0.93	C5AR1 (0.64)	NMBRGRPRKISS1RC5AR1NPY1R
SCHEMBL29743013	0.87	C5AR1 (0.59)	NMBRGRPRC5AR1NPY1RNPY2R
SCHEMBL9073302	0.87	KISS1R (0.66)	NMBRGRPRKISS1RC5AR1F2
SCHEMBL30648460	0.87	KISS1R (0.64)	KISS1RCAPN1CTSBNPY1RNPY2R
SCHEMBL30883204	0.86	GRPR (0.62)	NMBRGRPRC5AR1NPY1RNPY2R
SCHEMBL31404231	0.85	CAPN1 (0.59)	KISS1RC5AR1CAPN1CTSBPTGS1
SCHEMBL30834802	0.84	CAPN1 (0.58)	NMBRGRPRKISS1RC5AR1CAPN1
SCHEMBL31603944	0.84	NMBR (0.62)	NMBRGRPRC5AR1NPY1RNPY2R
SCHEMBL30209621	0.84	F2 (0.60)	KISS1RF2

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