SCHEMBL31070215

C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.63

▸	CALCRL	Q16602	3/20	0.52

▸	NMUR2	Q9GZQ4	1/20	0.51

▸	NMUR1	Q9HB89	1/20	0.51

▸	AGTR2	P50052	3/20	0.50

▸	AGTR1	P30556	2/20	0.50

▸	F2	P00734	1/20	0.49

▸	OPRM1	P35372	1/20	0.49

▸	OPRD1	P41143	1/20	0.49

▸	OPRK1	P41145	1/20	0.49

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
SCHEMBL29726955	0.93	SLC6A2 (0.55)	SLC6A2CALCRLNMUR2NMUR1F2
SCHEMBL29506907	0.89	SLC6A2 (0.53)	SLC6A2CALCRLNMUR2NMUR1AGTR2
SCHEMBL29674936	0.88	SLC6A2 (0.52)	SLC6A2CALCRLNMUR2NMUR1OPRM1
SCHEMBL29726957	0.88	SLC6A2 (0.56)	SLC6A2CALCRLNMUR2NMUR1F2
SCHEMBL29726956	0.87	SLC6A2 (0.55)	SLC6A2CALCRLF2OPRM1OPRD1
SCHEMBL29634985	0.86	CALCRL (0.57)	SLC6A2CALCRLNMUR2NMUR1OPRM1
SCHEMBL29706227	0.85	SLC6A2 (0.64)	SLC6A2CALCRLAGTR2AGTR1OPRM1
SCHEMBL31490515	0.85	MAPK8 (0.54)	SLC6A2CALCRLNMUR2NMUR1F2
SCHEMBL31490504	0.84	MAPK8 (0.52)	SLC6A2CALCRLNMUR2NMUR1
SCHEMBL29506914	0.84	MAPK8 (0.51)	SLC6A2CALCRLNMUR2NMUR1AGTR2

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
CN-118356515-A	FAP-targeted conjugate with radionuclide and application thereof	广州医科大学附属第一医院（广州呼吸中心）	2024-07-19	—	—	CN	disclosed