SCHEMBL29392324

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	4/20	0.51

▸	CALCRL	Q16602	4/20	0.51

▸	OPRM1	P35372	4/20	0.51

▸	OPRD1	P41143	4/20	0.51

▸	RAMP1	O60894	1/20	0.51

▸	F2	P00734	4/20	0.47

▸	EPHA2	P29317	1/20	0.46

▸	NMUR2	Q9GZQ4	1/20	0.46

▸	NMUR1	Q9HB89	1/20	0.46

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
SCHEMBL30186556	0.95	CALCRL (0.55)	KEAP1CALCRLOPRM1OPRD1RAMP1
SCHEMBL29392539	0.94	CALCRL (0.56)	KEAP1CALCRLOPRM1OPRD1RAMP1
SCHEMBL29392890	0.91	CALCRL (0.56)	KEAP1CALCRLOPRM1OPRD1RAMP1
SCHEMBL29392901	0.89	EPHA2 (0.57)	KEAP1CALCRLRAMP1EPHA2NMUR2
SCHEMBL29392795	0.88	CALCRL (0.55)	KEAP1CALCRLOPRM1OPRD1RAMP1
SCHEMBL29392282	0.87	CALCRL (0.58)	CALCRLOPRM1OPRD1RAMP1
SCHEMBL29389698	0.86	EPHA2 (0.56)	EPHA2
SCHEMBL29579706	0.84	CALCRL (0.60)	CALCRLOPRM1OPRD1RAMP1F2
SCHEMBL31015010	0.84	OPRM1 (0.59)	KEAP1CALCRLOPRM1OPRD1RAMP1
SCHEMBL30186419	0.84	CALCRL (0.58)	KEAP1CALCRLOPRM1OPRD1RAMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2024211447-A1	TP508 MRNAS	CHRYSALIS BIOTHERAPEUTICS (US)	2024-10-10	—	—	WO	disclosed
EP-3952991-A1	RUSALATIDE ACETATE COMPOSITIONS	Affirmed Pharma, LLC (US)	2022-02-16	—	—	EP	disclosed