SCHEMBL30430659

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	13/20	0.60

▸	BACE2	Q9Y5Z0	3/20	0.60

▸	CTSD	P07339	1/20	0.57

▸	OPRD1	P41143	1/20	0.55

▸	TFPI	P10646	1/20	0.53

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
SCHEMBL31123352	0.91	TFPI (0.59)	BACE1BACE2CTSDOPRD1TFPI
SCHEMBL30883259	0.88	TFPI (0.62)	BACE1BACE2TFPI
SCHEMBL30184264	0.87	TFPI (0.62)	BACE1BACE2CTSDTFPI
SCHEMBL29649718	0.86	OPRD1 (0.60)	BACE1BACE2CTSDOPRD1
SCHEMBL30445403	0.86	OPRD1 (0.50)	BACE1BACE2OPRD1
SCHEMBL30607373	0.86	BACE1 (0.62)	BACE1BACE2CTSDOPRD1
SCHEMBL30512508	0.85	OPRD1 (0.53)	BACE1BACE2CTSDOPRD1
SCHEMBL30906431	0.85	BACE1 (0.63)	BACE1BACE2OPRD1TFPI
SCHEMBL30430635	0.85	BACE1 (0.64)	BACE1BACE2CTSD
SCHEMBL30445796	0.84	BACE1 (0.54)	BACE1BACE2OPRD1TFPI

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-4436981-A1	SYNTHETIC PROCESS FOR PRODUCTION OF MODIFIED GCC RECEPTOR AGONISTS	Ironwood Pharmaceuticals, Inc. (US)	2024-10-02	—	—	EP	disclosed
WO-2023097210-A1	SYNTHETIC PROCESS FOR PRODUCTION OF MODIFIED GCC RECEPTOR AGONISTS	IRONWOOD PHARMACEUTICALS, INC. (US)	2023-06-01	—	—	WO	disclosed