SCHEMBL29855998

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	DPP3	Q9NY33	5/20	0.60

▸	OPRM1	P35372	2/20	0.57

▸	KISS1R	Q969F8	3/20	0.56

▸	CXCL8	P10145	6/20	0.56

▸	C5AR1	P21730	2/20	0.55

▸	CAPN1	P07384	2/20	0.54

▸	CTSB	P07858	2/20	0.54

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
SCHEMBL29695397	0.92	KISS1R (0.56)	DPP3OPRM1KISS1RCXCL8C5AR1
SCHEMBL38661114	0.89	KISS1R (0.62)	DPP3OPRM1KISS1RCXCL8
SCHEMBL29914614	0.87	KISS1R (0.61)	DPP3KISS1RCXCL8C5AR1
SCHEMBL19787869	0.86	DPP3 (0.69)	DPP3OPRM1C5AR1CAPN1CTSB
SCHEMBL31307225	0.86	IL23R (0.65)	KISS1RCXCL8C5AR1
SCHEMBL30023454	0.86	DPP3 (0.64)	DPP3OPRM1KISS1RC5AR1CAPN1
SCHEMBL30392261	0.86	DPP3 (0.61)	DPP3OPRM1KISS1RCAPN1CTSB
SCHEMBL30648460	0.86	KISS1R (0.64)	KISS1RCXCL8CAPN1CTSB
SCHEMBL31090175	0.86	DPP3 (0.77)	DPP3OPRM1KISS1R
SCHEMBL30949449	0.86	CAPN1 (0.61)	DPP3OPRM1KISS1RCXCL8CAPN1

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