SCHEMBL30712938

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	OPRM1	P35372	2/20	0.62

▸	OPRD1	P41143	2/20	0.62

▸	OPRK1	P41145	2/20	0.62

▸	TFPI	P10646	2/20	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
SCHEMBL30658323	0.94	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495668	0.92	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567772	0.91	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432109	0.90	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495626	0.90	NPY2R (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182911	0.90	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567778	0.90	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30073900	0.90	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182878	0.90	CALCR (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974100	0.90	TFPI (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed