SCHEMBL29695580

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.57

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	BACE1	P56817	8/20	0.49

▸	BACE2	Q9Y5Z0	3/20	0.49

▸	GLP1R	P43220	4/20	0.49

▸	SCTR	P47872	1/20	0.49

▸	GCGR	P47871	1/20	0.47

▸	GIPR	P48546	1/20	0.47

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
SCHEMBL30567735	0.89	CALCR (0.65)	CALCRCRHR1CRHR2BACE1GLP1R
SCHEMBL29617087	0.89	CALCR (0.53)	CALCRCRHR1CRHR2BACE1BACE2
SCHEMBL29617108	0.87	CALCR (0.51)	CALCRBACE1BACE2
SCHEMBL30567714	0.87	CALCR (0.64)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30618191	0.86	BACE1 (0.58)	BACE1BACE2
SCHEMBL29545883	0.86	CRHR1 (0.58)	CALCRCRHR1CRHR2BACE1BACE2
SCHEMBL29617104	0.85	CALCR (0.49)	CALCRCRHR1CRHR2BACE1
SCHEMBL30567710	0.85	CALCR (0.60)	CALCRCRHR1CRHR2BACE1GLP1R
SCHEMBL29556132	0.84	BACE1 (0.54)	CALCRCRHR1CRHR2BACE1BACE2
SCHEMBL31182772	0.84	CALCR (0.58)	CALCRCRHR1CRHR2GLP1RSCTR

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