SCHEMBL29598731

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.63

▸	CALCR	P30988	4/20	0.60

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	TFPI	P10646	2/20	0.59

▸	GLP1R	P43220	4/20	0.58

▸	GCGR	P47871	3/20	0.58

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
SCHEMBL30862313	0.97	C5AR1 (0.61)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL29598478	0.92	CALCR (0.62)	C5AR1CALCRTFPIGLP1RGCGR
SCHEMBL30495653	0.91	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432646	0.89	CALCR (0.67)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL31182473	0.89	NPY2R (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974086	0.88	C5AR1 (0.65)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL30432128	0.88	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495793	0.87	CALCR (0.67)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL29593655	0.87	C5AR1 (0.69)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29593954	0.87	C5AR1 (0.69)	C5AR1NPY2RNPY4RNPY5RNPY1R

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-20220125837-A1	METHODS FOR CONTROLLED ELIMINATION OF THERAPEUTIC CELLS	BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM	2022-04-28	—	—	US	disclosed