SCHEMBL31055392

CSCC[C@H](NC(=O)[C@H](CC1C=NC=N1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CCKBR	P32239	8/20	0.48

▸	OPRD1	P41143	5/20	0.47

▸	CCKAR	P32238	4/20	0.47

▸	OPRK1	P41145	1/20	0.47

▸	CTSL	P07711	1/20	0.45

▸	NPY1R	P25929	1/20	0.44

▸	NPY2R	P49146	1/20	0.44

▸	NPY4R	P50391	1/20	0.44

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
SCHEMBL29543768	0.81	NPY1R (0.58)	OPRD1OPRK1CTSLNPY1RNPY2R
Acetic Acid SCHEMBL29511850	0.80	NPY1R (0.57)	OPRD1OPRK1CTSLNPY1RNPY2R
SCHEMBL29370456	0.79	OPRK1 (0.62)	OPRD1OPRK1NPY1RNPY2RNPY4R
SCHEMBL31332219	0.79	CCKBR (0.55)	CCKBRCCKAR
SCHEMBL28676594	0.78	OPRK1 (0.56)	OPRD1OPRK1NPY1RNPY2RNPY4R
SCHEMBL1062481	0.78	OPRK1 (0.56)	OPRD1OPRK1NPY1RNPY2RNPY4R
SCHEMBL31501224	0.78	OPRK1 (0.54)	OPRD1OPRK1CTSLNPY1RNPY2R
SCHEMBL29462878	0.78	OPRK1 (0.54)	OPRD1OPRK1CTSLNPY1RNPY2R
SCHEMBL29418259	0.76	NPY1R (0.57)	CCKBROPRD1CCKAROPRK1NPY1R
SCHEMBL29357682	0.76	NPY1R (0.56)	CCKBROPRD1CCKAROPRK1CTSL

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
CN-118467152-A	Knowledge acquisition method based on data relative steady-state analysis	杭州电子科技大学	2024-08-09	—	—	CN	claimed
CN-118467152-A	Knowledge acquisition method based on data relative steady-state analysis	杭州电子科技大学	2024-08-09	—	—	CN	disclosed