SCHEMBL29695502

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.64

▸	MC4R	P32245	1/20	0.62

▸	CTSL	P07711	3/20	0.59

▸	CTSS	P25774	3/20	0.59

▸	CTSK	P43235	3/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	F2	P00734	4/20	0.57

▸	NMUR2	Q9GZQ4	5/20	0.57

▸	NMUR1	Q9HB89	5/20	0.57

▸	CALCR	P30988	1/20	0.54

▸	C5AR1	P21730	1/20	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
SCHEMBL30185050	0.90	APLNR (0.62)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL30455558	0.90	APLNR (0.62)	APLNRMC4RCTSLCTSSCTSK
SCHEMBL31678903	0.88	MC4R (0.67)	APLNRMC4RF2NMUR2NMUR1
SCHEMBL31182794	0.88	APLNR (0.64)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL30524357	0.87	APLNR (0.67)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL31295720	0.87	CALCR (0.65)	APLNRMC4RCTSLCTSSCTSK
SCHEMBL30276691	0.87	CALCR (0.68)	APLNRF2CALCR
SCHEMBL30432142	0.87	MC4R (0.73)	APLNRMC4RF2NMUR2NMUR1
SCHEMBL29972919	0.87	F2 (0.55)	APLNRMC4RCTSLCTSSCTSK
SCHEMBL30437391	0.86	APLNR (0.67)	APLNRMC4RCALCRC5AR1

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
EP-4267193-A1	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	Ludwig-Maximilians-Universität München (DE)	2023-11-01	—	—	EP	disclosed
WO-2022136555-A1	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE)	2022-06-30	—	—	WO	disclosed