SCHEMBL29856042

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

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	3/20	0.56

▸	CALCR	P30988	3/20	0.56

▸	OPRM1	P35372	2/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	SLC6A2	P23975	1/20	0.55

▸	NTSR1	P30989	1/20	0.55

▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	NMUR2	Q9GZQ4	2/20	0.53

▸	NMUR1	Q9HB89	2/20	0.53

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	F2	P00734	1/20	0.52

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
SCHEMBL30906353	0.93	CALCR (0.59)	CALCRNTSR1NPY2RNPY4RNPY5R
SCHEMBL30726587	0.93	RAMP3 (0.61)	RAMP3CALCROPRM1OPRD1NTSR1
SCHEMBL31000918	0.93	RAMP3 (0.58)	RAMP3CALCROPRM1OPRD1NTSR1
SCHEMBL30906513	0.92	RAMP3 (0.55)	RAMP3CALCROPRM1OPRD1NTSR1
SCHEMBL29695624	0.90	SLC6A2 (0.59)	OPRM1OPRD1SLC6A2
SCHEMBL30428845	0.89	OPRM1 (0.63)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL31683307	0.88	NPY2R (0.62)	CALCROPRD1NTSR1NPY2RNPY4R
SCHEMBL38665584	0.87	CALCRL (0.60)	SLC6A2NTSR1EP300HIF1A
SCHEMBL30495751	0.87	CALCR (0.59)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29376302	0.87	OPRM1 (0.64)	RAMP3CALCROPRM1OPRD1SLC6A2

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