SCHEMBL30818414

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

nearest known ligand 0.50

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.50

▸	GRPR	P30550	1/20	0.43

▸	RAMP3	O60896	3/20	0.42

▸	CALCR	P30988	3/20	0.42

▸	NMUR2	Q9GZQ4	1/20	0.41

▸	NMUR1	Q9HB89	1/20	0.41

▸	PTH1R	Q03431	2/20	0.41

▸	KISS1R	Q969F8	2/20	0.41

▸	IL23R	Q5VWK5	1/20	0.40

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
SCHEMBL30924751	0.93	TFPI (0.44)	TFPIKISS1R
SCHEMBL31433300	0.89	NPY4R (0.45)	TFPI
SCHEMBL31433226	0.88	TFPI (0.48)	TFPIRAMP3CALCRIL23R
SCHEMBL29835247	0.87	NPY4R (0.45)	TFPIKISS1R
SCHEMBL31461910	0.86	NPY4R (0.47)	TFPIKISS1R
SCHEMBL29374718	0.86	TFPI (0.44)	TFPIKISS1RIL23R
SCHEMBL30880897	0.85	TFPI (0.49)	TFPIGRPRIL23R
SCHEMBL30924753	0.85	NPY4R (0.57)	TFPIKISS1R
SCHEMBL30092982	0.84	NPY4R (0.48)	KISS1R
SCHEMBL31654013	0.84	IL23R (0.48)	TFPIIL23R

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-4316595-A2	USE OF CGRP RECEPTOR ANTAGONISTS IN TREATING GLAUCOMA	Soares, Christopher, J. (US)	2024-02-07	—	—	EP	disclosed