SCHEMBL30712912

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.64

▸	TFPI	P10646	4/20	0.64

▸	CALCR	P30988	5/20	0.63

▸	C5AR1	P21730	1/20	0.62

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	MC4R	P32245	1/20	0.62

▸	NMUR2	Q9GZQ4	2/20	0.61

▸	NMUR1	Q9HB89	2/20	0.61

▸	RAMP3	O60896	1/20	0.61

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
SCHEMBL31182519	0.90	CALCR (0.68)	F2TFPICALCRC5AR1NPY1R
SCHEMBL30432128	0.90	CALCR (0.69)	TFPICALCRNPY1RNPY2RNPY4R
SCHEMBL30818412	0.90	CALCR (0.69)	TFPICALCRNPY1RNPY2RNPY4R
SCHEMBL30818413	0.90	CALCR (0.69)	TFPICALCRNPY1RNPY2RNPY4R
SCHEMBL30432882	0.90	CALCR (0.67)	F2TFPICALCRC5AR1NPY1R
SCHEMBL31167611	0.90	CALCR (0.71)	F2TFPICALCRC5AR1NPY1R
SCHEMBL30883230	0.90	RAMP3 (0.64)	F2TFPICALCRNPY1RNPY2R
SCHEMBL30721584	0.90	CALCR (0.72)	F2TFPICALCRNPY1RNPY2R
SCHEMBL31182473	0.90	NPY2R (0.70)	F2TFPICALCRNPY1RNPY2R
SCHEMBL30073937	0.90	F2 (0.62)	F2TFPICALCRC5AR1NPY1R

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