SCHEMBL22195305

C[C@@H](O)[C@@H]1NC(=O)[C@@H]2Cc3cn(nn3)CCC[C@H](C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CSSCC(NC(=O)CN)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C2CCCN2C(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KLK5	Q9Y337	11/20	0.67

▸	ACE	P12821	1/20	0.56

▸	ACE2	Q9BYF1	1/20	0.56

▸	KLKB1	P03952	5/20	0.56

▸	SSTR1	P30872	1/20	0.54

▸	SSTR2	P30874	1/20	0.54

▸	SSTR4	P31391	1/20	0.54

▸	SSTR3	P32745	1/20	0.54

▸	SSTR5	P35346	1/20	0.54

▸	CHRNA7	P36544	1/20	0.54

▸	CHRNA10	Q9GZZ6	1/20	0.54

▸	CHRNA9	Q9UGM1	1/20	0.54

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
SCHEMBL22280522	0.94	CHRNA10 (0.62)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195323	0.94	CHRNA10 (0.62)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195304	0.94	CHRNA10 (0.62)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195289	0.93	KLK5 (0.59)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195295	0.92	CHRNA10 (0.65)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195282	0.92	CHRNA10 (0.62)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195307	0.92	KLK5 (0.57)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195292	0.91	CHRNA10 (0.64)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195285	0.90	CHRNA10 (0.61)	KLK5ACEACE2KLKB1CHRNA7
SCHEMBL22195334	0.90	CHRNA10 (0.61)	KLK5ACEACE2KLKB1CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2020142102-A9	CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS	KINETA CHRONIC PAIN, LLC (US)	2020-11-19	—	—	WO	disclosed
WO-2020142102-A1	CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS	KINETA CHRONIC PAIN, LLC (US)	2020-07-09	—	—	WO	disclosed