SCHEMBL30484004

CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)CC

nearest known ligand 0.64

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	6/20	0.64

▸	VIPR2	P41587	8/20	0.61

▸	GLP1R	P43220	9/20	0.57

▸	ECE1	P42892	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

▸	TFPI	P10646	1/20	0.56

▸	GCGR	P47871	1/20	0.55

▸	GIPR	P48546	1/20	0.55

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
SCHEMBL30483989	0.97	VIPR1 (0.64)	VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483985	0.96	VIPR1 (0.61)	VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483992	0.95	VIPR1 (0.65)	VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL31066777	0.94	GLP1R (0.62)	VIPR1VIPR2GLP1R
SCHEMBL30879523	0.92	GLP1R (0.63)	VIPR1VIPR2GLP1R
SCHEMBL31066784	0.92	VIPR1 (0.65)	VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483996	0.92	VIPR1 (0.65)	VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL31066792	0.92	VIPR1 (0.65)	VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483987	0.91	GLP1R (0.63)	VIPR1GLP1RECE1MUS81
SCHEMBL30879455	0.91	VIPR1 (0.62)	VIPR1VIPR2GLP1RECE1MUS81

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
US-20240287153-A1	Treating Inflammatory Lung Disease	THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS	2024-08-29	—	—	US	disclosed
US-20230126533-A1	Method of treating an inflammatory disorder	UNIVERSITY OF MIAMI	2023-04-27	—	—	US	disclosed