SCHEMBL30437818

N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

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

▸	MAOB	P27338	1/20	0.52

▸	KDM5A	P29375	1/20	0.52

▸	KDM1B	Q8NB78	1/20	0.52

▸	OPRM1	P35372	8/20	0.52

▸	OPRD1	P41143	3/20	0.52

▸	NPFFR1	Q9GZQ6	2/20	0.52

▸	NPFFR2	Q9Y5X5	2/20	0.52

▸	IL23R	Q5VWK5	1/20	0.52

▸	OPRK1	P41145	6/20	0.52

▸	CXCR4	P61073	2/20	0.52

▸	NMUR2	Q9GZQ4	1/20	0.51

▸	NMUR1	Q9HB89	1/20	0.51

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
SCHEMBL30437820	0.98	KDM1A (0.54)	KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL29932155	0.96	OPRM1 (0.53)	OPRM1OPRD1NPFFR1NPFFR2IL23R
SCHEMBL29749864	0.96	OPRM1 (0.53)	OPRM1OPRD1NPFFR1NPFFR2IL23R
SCHEMBL29932201	0.96	OPRM1 (0.53)	OPRM1OPRD1NPFFR1NPFFR2IL23R
SCHEMBL29932218	0.96	OPRM1 (0.53)	OPRM1OPRD1NPFFR1NPFFR2IL23R
SCHEMBL29932146	0.94	NPY4R (0.54)	KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL30078092	0.92	OPRM1 (0.54)	KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL30078177	0.92	OPRM1 (0.54)	KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL30078205	0.92	OPRM1 (0.54)	KDM1AMAOBKDM5AKDM1BOPRM1
SCHEMBL30078178	0.92	OPRM1 (0.54)	KDM1AMAOBKDM5AKDM1BOPRM1

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
US-11648293-B2	Compositions and methods for treating cancer	BIOKINE THERAPEUTICS LTD. (IL)	2023-05-16	—	—	US	disclosed