SCHEMBL29706027

C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.53

▸	F2	P00734	1/20	0.51

▸	APLNR	P35414	1/20	0.51

▸	OPRD1	P41143	4/20	0.46

▸	NMUR2	Q9GZQ4	2/20	0.46

▸	NMUR1	Q9HB89	1/20	0.46

▸	TACR1	P25103	1/20	0.45

▸	NTSR1	P30989	1/20	0.44

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
SCHEMBL29362706	0.87	GRB2 (0.67)	GRB2F2APLNRNTSR1
SCHEMBL30974457	0.84	GRB2 (0.52)	GRB2F2NTSR1
SCHEMBL30118985	0.84	GRB2 (0.48)	GRB2F2NMUR2NTSR1
SCHEMBL1247726	0.81	GRB2 (0.61)	GRB2F2APLNRNTSR1
SCHEMBL29364463	0.79	APLNR (0.55)	GRB2F2APLNROPRD1NTSR1
SCHEMBL30242233	0.79	OPRM1 (0.44)	F2NTSR1
SCHEMBL29571846	0.79	KEAP1 (0.46)	F2NTSR1
SCHEMBL29392602	0.79	GRB2 (0.66)	GRB2F2APLNRNTSR1
SCHEMBL29413017	0.78	F2 (0.56)	GRB2F2TACR1NTSR1
SCHEMBL29412990	0.78	F2 (0.56)	GRB2F2TACR1NTSR1

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-11672853-B2	Methods and compositions for immunization against virus	ACADEMIA SINICA (TW)	2023-06-13	—	—	US	disclosed
CN-107375919-B	Methods and compositions for antiviral immunization	台湾地区“中央研究院”	2022-07-29	—	—	CN	disclosed