SCHEMBL29794046

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

nearest known ligand 0.54

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.54

▸	CTSB	P07858	2/20	0.54

▸	CXCL8	P10145	9/20	0.49

▸	CXCR4	P61073	1/20	0.48

▸	TACR2	P21452	4/20	0.48

▸	DPP3	Q9NY33	1/20	0.47

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
SCHEMBL29794085	0.96	CAPN1 (0.56)	CAPN1CTSBCXCL8CXCR4TACR2
SCHEMBL29794102	0.96	CAPN1 (0.56)	CAPN1CTSBCXCL8CXCR4TACR2
SCHEMBL29794057	0.94	CAPN1 (0.54)	CAPN1CTSBCXCL8CXCR4TACR2
SCHEMBL29794002	0.94	CAPN1 (0.54)	CAPN1CTSBCXCL8CXCR4TACR2
SCHEMBL30232004	0.92	DPP3 (0.52)	CAPN1CTSBDPP3
SCHEMBL29666786	0.86	DPP3 (0.59)	DPP3
SCHEMBL29379873	0.84	DPP4 (0.58)	DPP3
SCHEMBL30051339	0.83	DPP4 (0.58)	DPP3
SCHEMBL30051839	0.82	DPP4 (0.54)	CAPN1CTSBDPP3
SCHEMBL34461871	0.82	CAPN1 (0.55)	CAPN1CTSBCXCR4TACR2DPP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4247338-A2	COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF	Spexis AG (CH)	2023-09-27	—	—	EP	disclosed
WO-2022106063-A2	COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF	POLYPHOR AG (CH)	2022-05-27	—	—	WO	disclosed