SCHEMBL30063022

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.64

▸	VIPR1	P32241	4/20	0.64

▸	VIPR2	P41587	6/20	0.61

▸	GLP1R	P43220	4/20	0.59

▸	ECE1	P42892	1/20	0.59

▸	MUS81	Q96NY9	1/20	0.59

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

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
SCHEMBL30437482	0.94	IL23R (0.58)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30712944	0.94	TFPI (0.68)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL31182890	0.93	TFPI (0.67)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL31167348	0.93	TFPI (0.60)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495613	0.92	VIPR1 (0.66)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30176419	0.92	VIPR1 (0.68)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30906541	0.92	TFPI (0.61)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29634728	0.91	TFPI (0.61)	TFPIVIPR1VIPR2
SCHEMBL30495775	0.91	VIPR1 (0.70)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30906449	0.91	VIPR1 (0.61)	TFPIVIPR1VIPR2GLP1RECE1

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
EP-3197912-B1	LIPIDATED AMIDE-BASED INSULIN PRODRUGS	UNIV INDIANA RES & TECH CORP (US)	2023-01-04	—	—	EP	disclosed