SCHEMBL29440667

CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	6/20	0.58

▸	BECN1	Q14457	4/20	0.52

▸	HCRTR1	O43613	1/20	0.50

▸	HCRTR2	O43614	1/20	0.50

▸	VIPR1	P32241	2/20	0.49

▸	VIPR2	P41587	2/20	0.49

▸	GLP1R	P43220	2/20	0.49

▸	NPY1R	P25929	1/20	0.48

▸	NPY2R	P49146	1/20	0.48

▸	NPY4R	P50391	1/20	0.48

▸	NPY5R	Q15761	1/20	0.48

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
SCHEMBL29727699	0.84	OPRL1 (0.43)	TFPIBECN1HCRTR1HCRTR2
SCHEMBL10743964	0.84	TFPI (0.51)	TFPI
SCHEMBL16922391	0.84	TFPI (0.65)	TFPIGLP1R
SCHEMBL10741300	0.84	TFPI (0.51)	TFPI
SCHEMBL30974383	0.83	TFPI (0.55)	TFPIVIPR1VIPR2GLP1R
Nonathymulin SCHEMBL2109423	0.82	OPRL1 (0.42)	TFPIHCRTR1HCRTR2
Nonathymulin SCHEMBL29727660	0.82	OPRL1 (0.42)	TFPIHCRTR1HCRTR2
SCHEMBL30082750	0.82	TFPI (0.57)	TFPIVIPR1VIPR2NPY1RNPY2R
SCHEMBL29354356	0.82	TFPI (0.57)	TFPIVIPR1VIPR2NPY1RNPY2R
SCHEMBL10744274	0.81	OPRL1 (0.42)	TFPI

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-3395372-B1	GLUTATHIONE-BASED DRUG DELIVERY SYSTEM	ENHANX BIOPHARM INC (TW)	2022-04-06	—	—	EP	disclosed