SCHEMBL29856103

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	6/20	0.60

▸	KDM1A	O60341	3/20	0.60

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	4/20	0.58

▸	EPHA2	P29317	2/20	0.58

▸	MAOB	P27338	1/20	0.57

▸	KDM5A	P29375	1/20	0.57

▸	KDM1B	Q8NB78	1/20	0.57

▸	OPRM1	P35372	2/20	0.57

▸	OPRD1	P41143	2/20	0.57

▸	OPRK1	P41145	2/20	0.57

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
SCHEMBL29695639	0.95	TFPI (0.62)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL31307220	0.90	NMUR2 (0.60)	KDM1AOPRM1OPRK1
SCHEMBL29903316	0.89	NPY2R (0.64)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL29368585	0.89	NTSR1 (0.63)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29477118	0.89	KDM1A (0.60)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30176453	0.89	NPY2R (0.64)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL30924728	0.88	EPHA2 (0.65)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL30578762	0.88	NTSR2 (0.60)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30432104	0.88	TFPI (0.69)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL30578758	0.88	NTSR2 (0.59)	NPY2RNPY4RNPY5RNPY1R

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