SCHEMBL9728122

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.64

▸	CTSB	P07858	2/20	0.64

▸	CXCR4	P61073	3/20	0.54

▸	GNRHR	P30968	1/20	0.51

▸	PRMT1	Q99873	1/20	0.51

▸	NTSR2	O95665	1/20	0.51

▸	NTSR1	P30989	1/20	0.51

▸	SORT1	Q99523	1/20	0.51

▸	OPRD1	P41143	1/20	0.49

▸	C5AR1	P21730	1/20	0.49

▸	DPP3	Q9NY33	1/20	0.49

▸	GLP1R	P43220	6/20	0.49

▸	GIPR	P48546	6/20	0.49

▸	KISS1R	Q969F8	2/20	0.48

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
SCHEMBL9728108	0.93	CAPN1 (0.56)	CAPN1CTSBCXCR4GNRHRPRMT1
SCHEMBL31362653	0.87	CAPN1 (0.62)	CAPN1CTSBCXCR4GNRHRNTSR2
SCHEMBL31362650	0.86	CAPN1 (0.64)	CAPN1CTSBCXCR4GNRHRNTSR2
SCHEMBL30974107	0.84	CXCR4 (0.59)	CAPN1CTSBCXCR4PRMT1C5AR1
SCHEMBL30906519	0.84	NPY1R (0.54)	CAPN1CTSBCXCR4GLP1RGIPR
SCHEMBL30906342	0.83	CAPN1 (0.53)	CAPN1CTSBPRMT1OPRD1C5AR1
SCHEMBL31452907	0.83	CAPN1 (0.58)	CAPN1CTSBCXCR4PRMT1OPRD1
SCHEMBL30974269	0.82	CXCR4 (0.57)	CXCR4PRMT1C5AR1
SCHEMBL30906366	0.82	NPY1R (0.53)	CAPN1CTSBCXCR4PRMT1NTSR2
SCHEMBL30973986	0.82	CXCR4 (0.60)	CXCR4PRMT1C5AR1GLP1RGIPR

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-5175148-A	Synthetic peptide; immunocontraceptive agent, diagnosis of autoimmune infertility	THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US)	1992-12-29	—	—	US	disclosed