SCHEMBL29525489

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.63

▸	OPRM1	P35372	4/20	0.56

▸	OPRD1	P41143	4/20	0.56

▸	OPRK1	P41145	3/20	0.56

▸	NPBWR1	P48145	5/20	0.56

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
SCHEMBL30721576	0.97	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1NPBWR1
SCHEMBL29375967	0.95	TFPI (0.59)	TFPIOPRM1OPRD1OPRK1NPBWR1
SCHEMBL29526062	0.94	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1NPBWR1
SCHEMBL34468124	0.94	TFPI (0.60)	TFPIOPRM1OPRD1OPRK1NPBWR1
SCHEMBL29376362	0.91	TFPI (0.66)	TFPI
SCHEMBL30662329	0.91	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30861917	0.91	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1NPBWR1
SCHEMBL30900788	0.91	OPRD1 (0.60)	TFPIOPRM1OPRD1OPRK1NPBWR1
SCHEMBL31614444	0.91	OPRD1 (0.56)	TFPIOPRM1OPRD1OPRK1
SCHEMBL29376413	0.90	TFPI (0.56)	TFPIOPRM1OPRD1OPRK1NPBWR1

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-3983065-A1	NOVEL PEPTIDE HORMONE ANALOGUES	IP2IPO Innovations Limited (GB)	2022-04-20	—	—	EP	disclosed