SCHEMBL29855908

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.68

▸	C5AR1	P21730	1/20	0.64

▸	F2	P00734	4/20	0.60

▸	NMUR2	Q9GZQ4	4/20	0.58

▸	NMUR1	Q9HB89	4/20	0.58

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	4/20	0.58

▸	CXCR4	P61073	1/20	0.57

▸	TFPI	P10646	1/20	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
SCHEMBL30432142	0.94	MC4R (0.73)	MC4RC5AR1F2NMUR2NMUR1
SCHEMBL31678903	0.91	MC4R (0.67)	MC4RC5AR1F2NMUR2NMUR1
SCHEMBL29593954	0.89	C5AR1 (0.69)	MC4RC5AR1F2NPY2RNPY4R
SCHEMBL29593655	0.89	C5AR1 (0.69)	MC4RC5AR1F2NPY2RNPY4R
SCHEMBL29593115	0.89	C5AR1 (0.69)	MC4RC5AR1F2NPY2RNPY4R
SCHEMBL30432646	0.89	CALCR (0.67)	C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30607369	0.89	CALCR (0.62)	MC4RC5AR1F2NPY2RNPY4R
SCHEMBL30176412	0.89	MC4R (0.63)	MC4RF2NMUR2NMUR1NPY2R
SCHEMBL29641118	0.89	C5AR1 (0.60)	MC4RC5AR1F2
SCHEMBL29880330	0.88	C5AR1 (0.64)	MC4RC5AR1NPY2RNPY4RNPY5R

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