SCHEMBL31247323

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	2/20	0.58

▸	SLC6A2	P23975	1/20	0.57

▸	CAPN1	P07384	2/20	0.51

▸	CALCRL	Q16602	1/20	0.51

▸	NMUR2	Q9GZQ4	2/20	0.50

▸	OPRM1	P35372	1/20	0.50

▸	OPRD1	P41143	1/20	0.50

▸	OPRK1	P41145	1/20	0.50

▸	CXCL8	P10145	3/20	0.50

▸	NMUR1	Q9HB89	1/20	0.50

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
SCHEMBL31247519	0.96	SLC6A2 (0.61)	NTSR1SLC6A2OPRM1OPRD1CXCL8
SCHEMBL31247408	0.95	SLC6A2 (0.55)	NTSR1SLC6A2CAPN1CALCRLNMUR2
SCHEMBL30690065	0.91	SLC6A2 (0.59)	NTSR1SLC6A2CAPN1CALCRLOPRM1
SCHEMBL31247447	0.86	CAPN1 (0.63)	CAPN1CXCL8
SCHEMBL31247492	0.86	CAPN1 (0.63)	CAPN1CXCL8
SCHEMBL38665591	0.85	SLC6A2 (0.59)	NTSR1SLC6A2CALCRLCXCL8
SCHEMBL30949447	0.85	CXCL8 (0.63)	NTSR1SLC6A2CAPN1CXCL8
SCHEMBL31247542	0.84	CAPN1 (0.60)	CAPN1CXCL8
SCHEMBL29657973	0.84	SLC6A2 (0.60)	NTSR1SLC6A2CALCRLNMUR2OPRM1
SCHEMBL10432709	0.84	NTSR1 (0.58)	NTSR1SLC6A2NMUR2CXCL8

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
WO-2024235070-A1	PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF	杭州禾泰健宇生物科技有限公司	2024-11-21	—	—	WO	disclosed