SCHEMBL30297637

NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.57

▸	CTSL	P07711	3/20	0.53

▸	CTSS	P25774	3/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	TACR1	P25103	1/20	0.52

▸	F2	P00734	4/20	0.52

▸	DPP3	Q9NY33	1/20	0.51

▸	OPRM1	P35372	1/20	0.51

▸	KISS1R	Q969F8	1/20	0.50

▸	CXCL8	P10145	6/20	0.49

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
SCHEMBL29381047	0.96	C5AR1 (0.62)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30355006	0.94	C5AR1 (0.64)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30904766	0.94	C5AR1 (0.65)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29389916	0.91	C5AR1 (0.68)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29387436	0.91	C5AR1 (0.68)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29756048	0.91	C5AR1 (0.63)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29655661	0.91	C5AR1 (0.63)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29794073	0.90	C5AR1 (0.68)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29655807	0.90	C5AR1 (0.68)	C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30617830	0.89	C5AR1 (0.61)	C5AR1CTSLCTSSCTSKCTSH

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-4150057-A2	PROCESS FOR PRODUCING DONOR-BATCHED CELLS EXPRESSING A RECOMBINANT RECEPTOR	Juno Therapeutics, Inc. (US)	2023-03-22	—	—	EP	disclosed