SCHEMBL29697025

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.51

▸	CRHR1	P34998	1/20	0.50

▸	CRHR2	Q13324	1/20	0.50

▸	KEAP1	Q14145	1/20	0.48

▸	BACE1	P56817	1/20	0.47

▸	GLP1R	P43220	8/20	0.47

▸	SCTR	P47872	1/20	0.47

▸	GCGR	P47871	3/20	0.45

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
SCHEMBL30640317	0.96	CALCR (0.53)	CALCRCRHR1CRHR2KEAP1BACE1
SCHEMBL29456351	0.91	BACE1 (0.49)	CALCRCRHR1CRHR2KEAP1BACE1
SCHEMBL31307277	0.90	EGFR (0.47)	CALCRCRHR1CRHR2KEAP1BACE1
SCHEMBL30358158	0.90	CALCR (0.57)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL29697123	0.89	BACE1 (0.47)	CALCRCRHR1CRHR2KEAP1BACE1
SCHEMBL29511681	0.89	CALCR (0.54)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30607313	0.88	KEAP1 (0.60)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30974497	0.88	CRHR1 (0.52)	CALCRCRHR1CRHR2KEAP1BACE1
SCHEMBL30436887	0.87	CALCR (0.55)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL31182576	0.86	PTH1R (0.58)	CALCRCRHR1CRHR2GLP1RSCTR

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-4267175-A1	IRRADIATED WHOLE-CELL IMMUNOGENS OF ACINETOBACTER BAUMANNII	Biological Mimetics, Inc. (US)	2023-11-01	—	—	EP	disclosed
WO-2022140382-A1	IRRADIATED WHOLE-CELL IMMUNOGENS OF ACINETOBACTER BAUMANNII	BIOLOGICAL MIMETICS, INC. (US)	2022-06-30	—	—	WO	disclosed