SCHEMBL30712918

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

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PRMT1	Q99873	1/20	0.61

▸	RXFP3	Q9NSD7	6/20	0.61

▸	RXFP4	Q8TDU9	5/20	0.61

▸	IL23R	Q5VWK5	6/20	0.60

▸	GLP1R	P43220	2/20	0.59

▸	ECE1	P42892	1/20	0.59

▸	MUS81	Q96NY9	1/20	0.59

▸	PTH1R	Q03431	1/20	0.58

▸	KISS1R	Q969F8	2/20	0.58

▸	NR3C1	P04150	2/20	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
SCHEMBL31461920	0.93	NPBWR1 (0.59)	KISS1R
SCHEMBL31462053	0.93	NPBWR1 (0.58)	KISS1R
SCHEMBL29695609	0.91	NR3C1 (0.69)	IL23RGLP1RECE1MUS81PTH1R
SCHEMBL31462044	0.91	NPBWR1 (0.59)	KISS1R
SCHEMBL30726552	0.89	IL23R (0.65)	IL23RGLP1RECE1MUS81NR3C1
SCHEMBL31665973	0.89	GLP1R (0.65)	IL23RGLP1RECE1MUS81PTH1R
SCHEMBL30262192	0.88	GLP1R (0.67)	IL23RGLP1RECE1MUS81PTH1R
SCHEMBL31461987	0.88	NPBWR1 (0.62)	IL23RKISS1R
SCHEMBL29939662	0.88	PRMT1 (0.64)	PRMT1IL23R
SCHEMBL31461886	0.88	NPBWR1 (0.61)	RXFP3RXFP4IL23RKISS1R

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed