SCHEMBL30574248

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	2/20	0.74

▸	NPY2R	P49146	2/20	0.74

▸	NPY4R	P50391	2/20	0.74

▸	NPY5R	Q15761	2/20	0.74

▸	GLP1R	P43220	6/20	0.72

▸	PTH1R	Q03431	10/20	0.72

▸	MC4R	P32245	1/20	0.68

▸	MC5R	P33032	1/20	0.68

▸	MC3R	P41968	1/20	0.68

▸	MC1R	Q01726	1/20	0.68

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
SCHEMBL29361667	0.92	NPY2R (0.81)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29355231	0.90	NPY1R (0.76)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30932069	0.90	GLP1R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30685550	0.89	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
Acetic Acid SCHEMBL29399515	0.89	NPY1R (0.75)	NPY1RNPY2RNPY4RNPY5RGLP1R
Water SCHEMBL29941416	0.89	NPY1R (0.75)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30213352	0.89	GLP1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30403451	0.89	GLP1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30432613	0.89	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30006939	0.89	KEAP1 (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-12180485-B2	Repressible control of gene expression	TRUSTEES OF BOSTON UNIVERSITY (US)	2024-12-31	—	—	US	disclosed
US-20230279406-A1	INDUCIBLE CONTROL OF GENE EXPRESSION	TRUSTEES OF BOSTON UNIVERSITY (US)	2023-09-07	—	—	US	disclosed