SCHEMBL22195289

C[C@@H](O)[C@@H]1NC(=O)[C@@H]2Cc3cn(nn3)CCC[C@H](C(=O)N[C@H](CC(=O)O)c3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KLK5	Q9Y337	10/20	0.59

▸	CHRNA10	Q9GZZ6	3/20	0.56

▸	CHRNA9	Q9UGM1	3/20	0.56

▸	CHRNA7	P36544	2/20	0.56

▸	ACE	P12821	1/20	0.54

▸	ACE2	Q9BYF1	1/20	0.54

▸	KLKB1	P03952	3/20	0.53

▸	PCSK9	Q8NBP7	1/20	0.51

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
SCHEMBL22195282	0.93	CHRNA10 (0.62)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195295	0.93	CHRNA10 (0.65)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195305	0.93	KLK5 (0.67)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195292	0.92	CHRNA10 (0.64)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195304	0.92	CHRNA10 (0.62)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195323	0.92	CHRNA10 (0.62)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22280522	0.92	CHRNA10 (0.62)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195285	0.91	CHRNA10 (0.61)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195334	0.91	CHRNA10 (0.61)	KLK5CHRNA10CHRNA9CHRNA7ACE
SCHEMBL22195319	0.90	CHRNA10 (0.64)	KLK5CHRNA10CHRNA9CHRNA7ACE

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