SCHEMBL31336977

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

nearest known ligand 0.78

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.64

▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	EP300	Q09472	1/20	0.63

▸	HIF1A	Q16665	1/20	0.63

▸	KEAP1	Q14145	3/20	0.62

▸	CALCR	P30988	2/20	0.60

▸	CXCR4	P61073	1/20	0.60

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
Trifluoroacetic Acid SCHEMBL28378335	0.98	TFPI (0.63)	TFPINPY2RNPY4RNPY5RNPY1R
Cathelicidin SCHEMBL29350781	0.97	NPY2R (0.65)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30658227	0.92	CALCR (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29588486	0.92	NPY2R (0.65)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30887977	0.92	CALCR (0.64)	TFPIKEAP1CALCRCXCR4
SCHEMBL30495583	0.92	NPY2R (0.65)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31183026	0.92	NPY2R (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30338084	0.91	NPY2R (0.62)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495778	0.91	NPY2R (0.69)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29827447	0.90	KEAP1 (0.62)	TFPINPY2RNPY4RNPY5RNPY1R

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
CN-116785447-B	Novel conjugates of montelukast and peptides	艾缇亚(上海)制药有限公司	2024-11-22	—	—	CN	disclosed