SCHEMBL29855986

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

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	NPY1R	P25929	6/20	0.66

▸	KDM1A	O60341	3/20	0.64

▸	MAOB	P27338	1/20	0.61

▸	KDM5A	P29375	1/20	0.61

▸	KDM1B	Q8NB78	1/20	0.61

▸	RAMP3	O60896	1/20	0.59

▸	CALCR	P30988	1/20	0.59

▸	TFPI	P10646	6/20	0.58

▸	NMUR2	Q9GZQ4	1/20	0.56

▸	NMUR1	Q9HB89	1/20	0.56

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
SCHEMBL30495741	0.92	KDM1A (0.70)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30495690	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31694500	0.90	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182494	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182618	0.88	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RKDM1A
Oncocin SCHEMBL29538886	0.88	KDM1A (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30576992	0.88	KDM1A (0.64)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182927	0.88	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30495648	0.88	RAMP3 (0.67)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30567697	0.88	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RKDM1A

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