SCHEMBL29568411

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.53

▸	MAOB	P27338	1/20	0.49

▸	KDM5A	P29375	1/20	0.49

▸	KDM1B	Q8NB78	1/20	0.49

▸	MAPK8	P45983	1/20	0.47

▸	MAPK9	P45984	1/20	0.47

▸	MAPK10	P53779	1/20	0.47

▸	TFPI	P10646	2/20	0.46

▸	NPY2R	P49146	6/20	0.43

▸	NPY4R	P50391	6/20	0.43

▸	NPY5R	Q15761	6/20	0.43

▸	NPY1R	P25929	4/20	0.43

▸	VIPR1	P32241	2/20	0.43

▸	VIPR2	P41587	2/20	0.43

▸	KEAP1	Q14145	1/20	0.43

▸	BECN1	Q14457	1/20	0.43

▸	RAMP3	O60896	3/20	0.42

▸	CALCR	P30988	3/20	0.42

▸	PTH1R	Q03431	1/20	0.42

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
SCHEMBL29570023	0.98	KDM1A (0.55)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29568737	0.93	KDM1A (0.55)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30844370	0.92	KDM1A (0.48)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30844273	0.92	KDM1A (0.48)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30844301	0.92	KDM1A (0.48)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29568972	0.91	BACE1 (0.44)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29395836	0.90	KDM1A (0.54)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29568802	0.89	KDM1A (0.45)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL31480031	0.89	MAPK8 (0.49)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29636365	0.88	MAPK8 (0.43)	KDM1AMAOBKDM5AKDM1BMAPK8

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-3320923-B1	FLUORESCENT IMAGING AGENTS	VISEN MEDICAL INC (US)	2022-04-06	—	—	EP	disclosed