SCHEMBL29805358

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

nearest known ligand 0.54

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	8/20	0.54

▸	BACE2	Q9Y5Z0	2/20	0.50

▸	OPRD1	P41143	1/20	0.47

▸	CCKBR	P32239	4/20	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
SCHEMBL30607469	0.88	BACE1 (0.51)	BACE1BACE2OPRD1
SCHEMBL29367381	0.86	OPRD1 (0.55)	BACE1BACE2OPRD1
SCHEMBL29581779	0.86	OPRD1 (0.58)	BACE1BACE2OPRD1
SCHEMBL30168788	0.84	BACE1 (0.56)	BACE1BACE2OPRD1CCKBR
SCHEMBL29836530	0.84	BACE1 (0.56)	BACE1BACE2OPRD1CCKBR
SCHEMBL29794116	0.83	BACE1 (0.49)	BACE1BACE2
SCHEMBL30168697	0.83	BACE1 (0.61)	BACE1BACE2CCKBR
SCHEMBL31574194	0.82	CALCR (0.55)	BACE1
SCHEMBL30168786	0.82	BACE1 (0.57)	BACE1BACE2
SCHEMBL29985919	0.82	BACE1 (0.51)	BACE1BACE2OPRD1

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-3060924-B1	PIF-TRANSFECTED CELLS AND METHODS OF USE	BIOINCEPT LLC (US)	2022-06-01	—	—	EP	disclosed