SCHEMBL31066792

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](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)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 0.65

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	7/20	0.65

▸	VIPR2	P41587	8/20	0.62

▸	TFPI	P10646	1/20	0.57

▸	GLP1R	P43220	5/20	0.57

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	1/20	0.55

▸	CCKBR	P32239	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
SCHEMBL31066784	0.99	VIPR1 (0.65)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL30484002	0.96	VIPR1 (0.64)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL31066778	0.96	VIPR2 (0.65)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL30483983	0.96	VIPR1 (0.67)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL30483997	0.95	VIPR1 (0.62)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL31066781	0.93	VIPR1 (0.61)	VIPR1VIPR2GLP1R
SCHEMBL30879516	0.93	VIPR1 (0.64)	VIPR1VIPR2GLP1R
SCHEMBL30879459	0.92	VIPR1 (0.62)	VIPR1VIPR2GLP1R
SCHEMBL30484004	0.92	VIPR1 (0.64)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL30483988	0.91	VIPR1 (0.64)	VIPR1VIPR2TFPIGLP1RECE1

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