SCHEMBL30726573

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	OPRM1	P35372	2/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	OPRK1	P41145	2/20	0.54

▸	TFPI	P10646	3/20	0.54

▸	KEAP1	Q14145	1/20	0.53

▸	NPY2R	P49146	4/20	0.53

▸	NPY4R	P50391	4/20	0.53

▸	NPY5R	Q15761	4/20	0.53

▸	NPY1R	P25929	3/20	0.53

▸	CCKBR	P32239	2/20	0.53

▸	GLP1R	P43220	2/20	0.53

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
SCHEMBL30712914	0.92	CALCR (0.61)	CALCROPRM1OPRD1OPRK1TFPI
SCHEMBL31000913	0.92	CALCR (0.66)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30073900	0.89	CALCR (0.66)	CALCROPRM1OPRD1OPRK1TFPI
SCHEMBL29695551	0.88	CALCR (0.62)	CALCROPRM1OPRD1KEAP1NPY2R
SCHEMBL30906419	0.88	CALCR (0.65)	CALCROPRM1OPRD1OPRK1TFPI
SCHEMBL30428290	0.88	CALCR (0.65)	CALCROPRM1OPRD1OPRK1TFPI
SCHEMBL29438372	0.88	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658198	0.88	CALCR (0.70)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30966632	0.88	NPY2R (0.59)	CALCROPRM1OPRD1OPRK1TFPI
SCHEMBL29856023	0.87	CALCR (0.61)	CALCROPRM1OPRD1TFPINPY2R

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-2024020063-A2	ANTI-HRF ANTIBODIES	LA JOLLA INSTITUTE FOR IMMUNOLOGY (US)	2024-01-25	—	—	WO	disclosed