SCHEMBL31606513

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	5/20	0.54

▸	AGTR1	P30556	1/20	0.53

▸	AGTR2	P50052	1/20	0.53

▸	CXCL8	P10145	8/20	0.51

▸	CASP1	P29466	1/20	0.51

▸	CASP3	P42574	1/20	0.51

▸	CASP4	P49662	1/20	0.51

▸	CASP5	P51878	1/20	0.51

▸	CASP7	P55210	1/20	0.51

▸	CASP9	P55211	1/20	0.51

▸	CASP6	P55212	1/20	0.51

▸	CASP8	Q14790	1/20	0.51

▸	CASP10	Q92851	1/20	0.51

▸	NTSR2	O95665	1/20	0.51

▸	NTSR1	P30989	1/20	0.51

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
SCHEMBL31606503	0.96	AGTR1 (0.58)	KISS1RAGTR1AGTR2CXCL8CASP1
SCHEMBL31606514	0.95	KISS1R (0.55)	KISS1RAGTR1AGTR2CXCL8
SCHEMBL31606474	0.93	AGTR1 (0.56)	KISS1RAGTR1AGTR2CXCL8CASP1
SCHEMBL31606523	0.91	KISS1R (0.56)	KISS1RAGTR1AGTR2CXCL8CASP1
SCHEMBL31606498	0.89	CXCL8 (0.54)	KISS1RCXCL8CASP1CASP3CASP4
SCHEMBL31606485	0.89	CXCL8 (0.56)	KISS1RCXCL8
SCHEMBL31606478	0.88	KISS1R (0.56)	KISS1RCXCL8CASP1CASP3CASP4
SCHEMBL31606483	0.87	CXCL8 (0.56)	KISS1RAGTR1AGTR2CXCL8
SCHEMBL31606507	0.86	CASP1 (0.54)	KISS1RCXCL8CASP1CASP3CASP4
SCHEMBL31606497	0.84	CASP1 (0.53)	KISS1RCXCL8CASP1CASP3CASP4

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-2025109003-A1	P-CADHERIN LIGANDS	3B PHARMACEUTICALS GMBH (DE)	2025-05-30	—	—	WO	disclosed