SCHEMBL30299196

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	11/20	0.67

▸	KEAP1	Q14145	3/20	0.65

▸	RXFP1	Q9HBX9	1/20	0.61

▸	IL23R	Q5VWK5	3/20	0.60

▸	CCKBR	P32239	1/20	0.58

▸	GLP1R	P43220	1/20	0.58

▸	NPY2R	P49146	1/20	0.56

▸	GHSR	Q92847	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
SCHEMBL31232534	0.98	PTH1R (0.68)	PTH1RKEAP1RXFP1IL23RCCKBR
SCHEMBL29350300	0.95	PTH1R (0.64)	PTH1RKEAP1RXFP1IL23RCCKBR
SCHEMBL29429587	0.95	PTH1R (0.64)	PTH1RKEAP1RXFP1IL23RCCKBR
SCHEMBL31574199	0.95	PTH1R (0.65)	PTH1RKEAP1RXFP1IL23RGLP1R
Penetratin SCHEMBL29356568	0.95	PTH1R (0.66)	PTH1RKEAP1RXFP1IL23RNPY2R
SCHEMBL29710643	0.93	PTH1R (0.65)	PTH1RKEAP1RXFP1IL23RNPY2R
Penetratin SCHEMBL29450548	0.93	KEAP1 (0.64)	PTH1RKEAP1RXFP1IL23RCCKBR
SCHEMBL31694512	0.92	PTH1R (0.71)	PTH1RKEAP1RXFP1IL23RCCKBR
SCHEMBL31749000	0.92	PTH1R (0.63)	PTH1RKEAP1RXFP1IL23RCCKBR
SCHEMBL30617122	0.92	PTH1R (0.61)	PTH1RKEAP1IL23RCCKBRGLP1R

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
US-20230065816-A1	METHODS FOR PREVENTING AND REVERSING OPIOID ANALGESIC TOLERANCE IN SUBJECTS WITH CHRONIC PAIN	THE REASEARCH FOUND FOR SUNY (US)	2023-03-02	—	—	US	disclosed