SCHEMBL30299506

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=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](C(N)=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.49

▸	GLP1R	P43220	2/20	0.48

▸	SCTR	P47872	1/20	0.48

▸	OPRL1	P41146	6/20	0.47

▸	NPBWR1	P48145	2/20	0.46

▸	PRMT1	Q99873	1/20	0.46

▸	CXCR4	P61073	1/20	0.46

▸	GCGR	P47871	1/20	0.45

▸	C5AR1	P21730	1/20	0.45

▸	NR3C1	P04150	1/20	0.44

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
SCHEMBL30930541	0.87	GLP1R (0.54)	TFPIGLP1RSCTROPRL1PRMT1
SCHEMBL31467532	0.86	C5AR1 (0.46)	GLP1RSCTROPRL1NPBWR1CXCR4
SCHEMBL30262188	0.85	GLP1R (0.59)	TFPIGLP1RSCTRGCGR
SCHEMBL29469826	0.85	KEAP1 (0.54)	TFPIGLP1RSCTRGCGRC5AR1
SCHEMBL29964770	0.85	GLP1R (0.50)	TFPIGLP1RSCTRGCGRC5AR1
SCHEMBL29939588	0.85	C5AR1 (0.49)	TFPIGLP1RSCTRGCGRC5AR1
Nbi-6024 SCHEMBL29355419	0.85	GLP1R (0.52)	TFPIGLP1RSCTR
SCHEMBL31467531	0.84	C5AR1 (0.44)	GLP1RSCTROPRL1CXCR4C5AR1
SCHEMBL11123246	0.83	C5AR1 (0.47)	GLP1ROPRL1PRMT1GCGRC5AR1
SCHEMBL11123257	0.83	C5AR1 (0.47)	GLP1ROPRL1PRMT1GCGRC5AR1

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-20230062119-A1	USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR	MERCK SHARP & DOHME LLC (US)	2023-03-02	—	—	US	disclosed