SCHEMBL30445052

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.48

▸	BACE1	P56817	1/20	0.48

▸	IL23R	Q5VWK5	8/20	0.48

▸	CALCR	P30988	3/20	0.48

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
SCHEMBL30445809	0.96	BACE1 (0.48)	TFPIBACE1IL23RCALCR
SCHEMBL30445424	0.92	BACE1 (0.49)	TFPIBACE1IL23R
SCHEMBL30445748	0.87	FNTA (0.54)	BACE1
SCHEMBL30445719	0.87	FNTA (0.54)	BACE1
SCHEMBL30445724	0.85	BACE1 (0.54)	BACE1
SCHEMBL30495786	0.85	TFPI (0.58)	TFPIBACE1CALCR
SCHEMBL31243925	0.84	TFPI (0.60)	TFPIIL23R
SCHEMBL30512641	0.83	FNTA (0.54)	TFPI
SCHEMBL32675882	0.83	NTSR2 (0.50)	TFPIBACE1
SCHEMBL30445403	0.82	OPRD1 (0.50)	BACE1IL23R

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
EP-4192843-A1	PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF	Ospedale Pediatrico Bambino Gesù (IT)	2023-06-14	—	—	EP	disclosed