SCHEMBL29637925

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

nearest known ligand 0.63

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.63

▸	CALCR	P30988	4/20	0.58

▸	MC4R	P32245	1/20	0.58

▸	KDM1A	O60341	2/20	0.58

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	NPY2R	P49146	5/20	0.57

▸	NPY4R	P50391	5/20	0.57

▸	NPY5R	Q15761	5/20	0.57

▸	NPY1R	P25929	3/20	0.57

▸	F2	P00734	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
SCHEMBL29647453	0.99	C5AR1 (0.62)	C5AR1CALCRMC4RKDM1ACRHR1
SCHEMBL30148163	0.99	C5AR1 (0.62)	C5AR1CALCRMC4RKDM1ACRHR1
SCHEMBL30523596	0.97	C5AR1 (0.62)	C5AR1CALCRMC4RKDM1ANPY2R
SCHEMBL31386975	0.96	CALCR (0.63)	C5AR1CALCRKDM1ANPY2RNPY4R
SCHEMBL29637944	0.95	C5AR1 (0.65)	C5AR1CALCRKDM1ANPY2RNPY4R
SCHEMBL30523581	0.95	CALCR (0.63)	C5AR1CALCRKDM1ANPY2RNPY4R
SCHEMBL31386983	0.93	C5AR1 (0.58)	C5AR1CALCRMC4RKDM1ANPY2R
SCHEMBL30432183	0.91	F2 (0.59)	CALCRKDM1ANPY2RNPY4RNPY5R
SCHEMBL30712933	0.89	C5AR1 (0.62)	C5AR1CALCRKDM1ANPY2RNPY4R
SCHEMBL29880330	0.89	C5AR1 (0.64)	C5AR1MC4RKDM1ANPY2RNPY4R

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-112915211-B	PD-L1 targeted peptide drug conjugate and synthetic method and application thereof	成都中医药大学	2022-05-06	—	—	CN	disclosed