SCHEMBL29678305

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	1/20	0.59

▸	KEAP1	Q14145	2/20	0.59

▸	C5AR1	P21730	1/20	0.58

▸	OPRD1	P41143	3/20	0.57

▸	OPRM1	P35372	1/20	0.57

▸	MC4R	P32245	3/20	0.57

▸	MC5R	P33032	2/20	0.57

▸	MC3R	P41968	2/20	0.57

▸	MC1R	Q01726	2/20	0.57

▸	RAMP3	O60896	1/20	0.56

▸	CALCR	P30988	1/20	0.56

▸	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
SCHEMBL29678292	0.96	KEAP1 (0.58)	IL23RKEAP1C5AR1OPRD1OPRM1
SCHEMBL29496464	0.91	KEAP1 (0.59)	IL23RKEAP1OPRD1OPRM1MC4R
SCHEMBL29730557	0.91	SLC6A2 (0.59)	IL23RKEAP1C5AR1OPRD1OPRM1
SCHEMBL29627571	0.91	KEAP1 (0.59)	IL23RKEAP1OPRD1OPRM1RAMP3
SCHEMBL31174223	0.90	NPY2R (0.64)	KEAP1C5AR1RAMP3CALCR
SCHEMBL31622479	0.89	C5AR1 (0.68)	C5AR1MC4RRAMP3CALCR
SCHEMBL30712913	0.89	NPY2R (0.64)	KEAP1OPRD1
SCHEMBL29662379	0.89	KEAP1 (0.56)	IL23RKEAP1C5AR1OPRD1OPRM1
SCHEMBL29463786	0.88	NPY2R (0.61)	KEAP1OPRD1OPRM1RAMP3CALCR
SCHEMBL29463778	0.88	NPY2R (0.61)	KEAP1OPRD1OPRM1RAMP3CALCR

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
EP-4007594-A1	PREMIXED ULTRA-STABLE SINGLE-CHAIN INSULIN ANALOGUE FORMULATIONS	CASE WESTERN RESERVE UNIVERSITY (US)	2022-06-08	—	—	EP	disclosed