SCHEMBL6461324

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	VIPR1	P32241	2/20	0.57

▸	PTH1R	Q03431	1/20	0.56

▸	VIPR2	P41587	1/20	0.56

▸	CALCR	P30988	3/20	0.56

▸	GLP1R	P43220	2/20	0.56

▸	CCKBR	P32239	1/20	0.56

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	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
SCHEMBL29922901	1.00	TFPI (0.59)	TFPIVIPR1PTH1RVIPR2CALCR
SCHEMBL30367254	0.98	TFPI (0.59)	TFPIVIPR1PTH1RVIPR2CALCR
SCHEMBL29353526	0.98	TFPI (0.59)	TFPIVIPR1PTH1RVIPR2CALCR
SCHEMBL29746858	0.96	PTH1R (0.60)	TFPIVIPR1PTH1RVIPR2GLP1R
SCHEMBL30449199	0.96	PTH1R (0.57)	TFPIPTH1RGLP1RECE1MUS81
SCHEMBL6437697	0.94	TFPI (0.63)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL6437703	0.94	TFPI (0.63)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29746772	0.92	KISS1R (0.60)	TFPIVIPR1VIPR2
SCHEMBL29494169	0.89	KISS1R (0.60)	TFPIVIPR1PTH1RVIPR2GLP1R
SCHEMBL29523535	0.89	VIPR1 (0.69)	TFPIVIPR1PTH1RVIPR2CALCR

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-20050181066-A1	Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency	ALTANA PHARMA AG (DE)	2005-08-18	—	—	US	claimed