SCHEMBL29856045

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

nearest known ligand 0.45

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	4/20	0.44

▸	GRPR	P30550	3/20	0.43

▸	F2	P00734	4/20	0.42

▸	GLP1R	P43220	2/20	0.41

▸	SCTR	P47872	1/20	0.41

▸	ERBB2	P04626	1/20	0.41

▸	CTSD	P07339	1/20	0.40

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
SCHEMBL30974323	0.90	BACE1 (0.47)	BACE1GRPRF2GLP1RSCTR
SCHEMBL30974246	0.88	BACE1 (0.47)	BACE1GRPRF2GLP1RSCTR
SCHEMBL32677403	0.88	BACE1 (0.45)	BACE1CTSD
SCHEMBL30974400	0.87	GLP1R (0.49)	BACE1GRPRF2GLP1RSCTR
SCHEMBL30974612	0.87	BACE1 (0.51)	BACE1GRPRF2GLP1RSCTR
SCHEMBL29599778	0.87	CALCR (0.43)	F2GLP1RSCTR
SCHEMBL30512576	0.86	CALCR (0.47)	BACE1F2GLP1R
SCHEMBL31682273	0.86	GRPR (0.39)	GRPRF2GLP1RSCTR
SCHEMBL29508322	0.84	GLP1R (0.44)	GRPRGLP1RSCTR
SCHEMBL31514368	0.83	BACE1 (0.49)	BACE1GRPRCTSD

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
WO-2022136555-A9	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE)	2022-09-22	—	—	WO	disclosed