SCHEMBL31319513

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

nearest known ligand 0.59

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	OPRM1	P35372	5/20	0.53

▸	OPRD1	P41143	5/20	0.53

▸	OPRK1	P41145	3/20	0.53

▸	IL23R	Q5VWK5	4/20	0.51

▸	CALCR	P30988	2/20	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
SCHEMBL30262130	0.90	TFPI (0.57)	TFPIOPRM1OPRD1OPRK1CALCR
SCHEMBL30432406	0.89	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1CALCR
SCHEMBL30498562	0.89	TFPI (0.60)	TFPIIL23RCALCR
SCHEMBL29365490	0.89	TFPI (0.62)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30445730	0.89	BACE1 (0.53)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL30350026	0.89	KISS1R (0.56)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30906588	0.88	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30874390	0.88	TFPI (0.63)	TFPICALCR
SCHEMBL31000935	0.87	TFPI (0.65)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30844083	0.87	OPRM1 (0.61)	TFPIOPRM1OPRD1OPRK1

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-2025038031-A1	ENGINEERED MITOCHONDRION	AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG)	2025-02-20	—	—	WO	claimed
WO-2025038031-A1	ENGINEERED MITOCHONDRION	AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG)	2025-02-20	—	—	WO	disclosed