SCHEMBL29659735

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	2/20	0.57

▸	GLP1R	P43220	2/20	0.51

▸	SCTR	P47872	1/20	0.51

▸	NR3C1	P04150	2/20	0.51

▸	OPRL1	P41146	3/20	0.50

▸	PSEN1	P49768	2/20	0.50

▸	PSEN2	P49810	2/20	0.50

▸	APH1B	Q8WW43	2/20	0.50

▸	NCSTN	Q92542	2/20	0.50

▸	APH1A	Q96BI3	2/20	0.50

▸	PSENEN	Q9NZ42	2/20	0.50

▸	OPRM1	P35372	3/20	0.50

▸	OPRD1	P41143	3/20	0.50

▸	OPRK1	P41145	3/20	0.50

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
SCHEMBL29659798	0.95	TFPI (0.53)	TFPIGLP1RSCTRNR3C1
SCHEMBL29659796	0.95	TFPI (0.53)	TFPIGLP1RSCTRNR3C1
SCHEMBL29659740	0.87	TFPI (0.52)	TFPIGLP1RSCTRNR3C1PSEN1
Misgurin SCHEMBL29509599	0.86	TFPI (0.72)	TFPIGLP1RSCTRNR3C1
SCHEMBL31742547	0.84	TFPI (0.58)	TFPI
SCHEMBL30294077	0.84	TFPI (0.61)	TFPIGLP1ROPRL1
SCHEMBL29551264	0.84	TFPI (0.71)	TFPIGLP1RNR3C1
SCHEMBL29851163	0.84	TFPI (0.71)	TFPIGLP1RNR3C1
SCHEMBL29625291	0.83	OPRL1 (0.50)	TFPIOPRL1
SCHEMBL29659761	0.83	TFPI (0.58)	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
CN-109942714-B	Functional polypeptide and application	中国药科大学	2022-07-08	—	—	CN	disclosed