SCHEMBL31066782

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.48

▸	GLP1R	P43220	5/20	0.46

▸	CALCR	P30988	4/20	0.45

▸	CRHR1	P34998	1/20	0.45

▸	CRHR2	Q13324	1/20	0.45

▸	VIPR2	P41587	3/20	0.45

▸	VIPR1	P32241	3/20	0.45

▸	F2	P00734	4/20	0.45

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
SCHEMBL31554829	0.87	VIPR2 (0.46)	CALCRCRHR1CRHR2VIPR2VIPR1
SCHEMBL31066791	0.87	VIPR1 (0.55)	GLP1RVIPR2VIPR1
SCHEMBL30512732	0.86	CRHR1 (0.50)	BACE1CALCRCRHR1CRHR2F2
SCHEMBL30432541	0.86	GLP1R (0.52)	GLP1RCALCRCRHR1CRHR2VIPR1
SCHEMBL29827711	0.86	CRHR1 (0.55)	GLP1RCALCRCRHR1CRHR2F2
SCHEMBL10695762	0.86	CCNA2 (0.46)	BACE1GLP1RCALCRCRHR1CRHR2
SCHEMBL10695770	0.86	CCNA2 (0.46)	BACE1GLP1RCALCRCRHR1CRHR2
SCHEMBL30432020	0.85	VIPR2 (0.54)	BACE1GLP1RCALCRCRHR1CRHR2
SCHEMBL31041712	0.85	CRHR1 (0.39)	GLP1RCALCRCRHR1CRHR2
SCHEMBL31257072	0.84	MAGI3 (0.48)	BACE1GLP1RCALCRCRHR1CRHR2

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-20240287153-A1	Treating Inflammatory Lung Disease	THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS	2024-08-29	—	—	US	disclosed