SCHEMBL30140929

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.49

▸	GLP1R	P43220	2/20	0.46

▸	GCGR	P47871	1/20	0.46

▸	GIPR	P48546	1/20	0.46

▸	RXFP1	Q9HBX9	1/20	0.46

▸	TFPI	P10646	1/20	0.45

▸	PTH1R	Q03431	4/20	0.45

▸	VIPR1	P32241	1/20	0.44

▸	OPRL1	P41146	2/20	0.42

▸	BCL2L1	Q07817	1/20	0.41

▸	BAD	Q92934	1/20	0.41

▸	CCKBR	P32239	1/20	0.41

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
SCHEMBL29901573	0.90	GLP1R (0.51)	BACE1GLP1RGCGRGIPRRXFP1
SCHEMBL29561758	0.90	VIPR2 (0.50)	BACE1GLP1RGCGRGIPRRXFP1
SCHEMBL30262014	0.87	RXFP1 (0.47)	BACE1GLP1RGCGRGIPRRXFP1
SCHEMBL30136460	0.86	PTH1R (0.50)	BACE1GLP1RGCGRGIPRRXFP1
SCHEMBL31038687	0.86	BACE1 (0.57)	BACE1GLP1RGCGRGIPRTFPI
SCHEMBL32670624	0.86	BACE1 (0.61)	BACE1GLP1RGCGRGIPRRXFP1
SCHEMBL30568070	0.86	BACE1 (0.47)	BACE1RXFP1TFPIVIPR1
SCHEMBL28865257	0.86	BACE1 (0.52)	BACE1
SCHEMBL28865256	0.86	BACE1 (0.52)	BACE1
SCHEMBL30512750	0.85	GLP1R (0.46)	BACE1GLP1RGCGRGIPRVIPR1

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
US-20230050804-A1	USE OF CCDC157 GENE AND MUTANT GENES THEREOF AS MOLECULAR MARKERS IN DIAGNOSIS OF MALE INFERTILITY DISEASES	ZHEJIANG UNIVERSITY (CN)	2023-02-16	—	—	US	disclosed