SCHEMBL29856025

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

nearest known ligand 0.56

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.56

▸	OPRM1	P35372	4/20	0.52

▸	OPRD1	P41143	4/20	0.52

▸	OPRK1	P41145	4/20	0.52

▸	IL23R	Q5VWK5	2/20	0.51

▸	CCKBR	P32239	4/20	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
SCHEMBL29602182	0.90	OPRK1 (0.51)	OPRM1OPRD1OPRK1CCKBR
SCHEMBL29443515	0.90	OPRK1 (0.51)	OPRM1OPRD1OPRK1CCKBR
SCHEMBL29811053	0.88	IL23R (0.59)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL31182868	0.88	VIPR2 (0.61)	TFPICCKBR
SCHEMBL29836442	0.87	TFPI (0.55)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL31182918	0.87	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL30420308	0.86	OPRD1 (0.52)	OPRM1OPRD1OPRK1CCKBR
SCHEMBL29696462	0.86	OPRM1 (0.60)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL11512382	0.86	IL23R (0.51)	OPRM1OPRD1OPRK1IL23RCCKBR
SCHEMBL29590452	0.86	OPRM1 (0.55)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2022136555-A9	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE)	2022-09-22	—	—	WO	disclosed