SCHEMBL31606497

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

nearest known ligand 0.53

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	CASP1	P29466	1/20	0.53

▸	CASP3	P42574	1/20	0.53

▸	CASP4	P49662	1/20	0.53

▸	CASP5	P51878	1/20	0.53

▸	CASP7	P55210	1/20	0.53

▸	CASP9	P55211	1/20	0.53

▸	CASP6	P55212	1/20	0.53

▸	CASP8	Q14790	1/20	0.53

▸	CASP10	Q92851	1/20	0.53

▸	MAGI3	Q5TCQ9	1/20	0.52

▸	EDNRA	P25101	1/20	0.49

▸	F13A1	P00488	2/20	0.48

▸	TGM2	P21980	2/20	0.48

▸	CXCL8	P10145	8/20	0.48

▸	CXCR4	P61073	1/20	0.47

▸	KISS1R	Q969F8	2/20	0.47

▸	GLP1R	P43220	2/20	0.47

▸	CCKBR	P32239	2/20	0.46

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
SCHEMBL31606507	0.98	CASP1 (0.54)	CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606498	0.96	CXCL8 (0.54)	CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606520	0.94	CASP1 (0.50)	CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606483	0.93	CXCL8 (0.56)	CXCL8KISS1RGLP1RCCKBR
SCHEMBL31606517	0.90	KISS1R (0.58)	CXCL8KISS1RGLP1RCCKBR
SCHEMBL31606478	0.89	KISS1R (0.56)	CASP1CASP3CASP4CASP5CASP7
SCHEMBL31606530	0.89	CXCL8 (0.57)	CXCL8KISS1RCCKBR
SCHEMBL31606508	0.89	CXCL8 (0.58)	CXCL8KISS1RCCKBR
SCHEMBL31606506	0.88	KISS1R (0.61)	CXCL8KISS1RGLP1RCCKBR
SCHEMBL31606516	0.88	CXCL8 (0.50)	CXCL8KISS1RCCKBR

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