SCHEMBL30567015

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

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.67

▸	F2	P00734	4/20	0.61

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	CXCR4	P61073	1/20	0.57

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
SCHEMBL30511771	0.96	CALCR (0.67)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30437180	0.92	CALCR (0.68)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30567014	0.92	CALCR (0.65)	CALCRF2HCRTR1HCRTR2CXCR4
SCHEMBL30721582	0.91	CALCR (0.76)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30721659	0.91	CALCR (0.76)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29939723	0.90	CALCR (0.79)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495635	0.90	NPY2R (0.66)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30960478	0.90	CALCR (0.66)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30721584	0.90	CALCR (0.72)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30721550	0.90	CALCR (0.76)	CALCRF2NPY2RNPY4RNPY5R

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-116903726-A	Cyclizing modification of Notch1 fragment peptide and anti-leukemia effect thereof	浙江理工大学	2023-10-20	—	—	CN	disclosed