SCHEMBL30608552

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.61

▸	VIPR1	P32241	2/20	0.59

▸	PTH1R	Q03431	1/20	0.58

▸	GLP1R	P43220	3/20	0.58

▸	CCKBR	P32239	1/20	0.58

▸	RXFP1	Q9HBX9	1/20	0.58

▸	VIPR2	P41587	3/20	0.57

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	KEAP1	Q14145	2/20	0.56

▸	OPRL1	P41146	1/20	0.56

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	1/20	0.56

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
SCHEMBL30607324	0.93	VIPR1 (0.65)	BACE1VIPR1PTH1RGLP1RCCKBR
SCHEMBL29949449	0.91	VIPR1 (0.65)	BACE1VIPR1PTH1RGLP1RCCKBR
SCHEMBL30432173	0.91	VIPR1 (0.69)	BACE1VIPR1PTH1RGLP1RCCKBR
SCHEMBL30906463	0.91	TFPI (0.59)	VIPR1PTH1RGLP1RCCKBRRXFP1
SCHEMBL30495732	0.90	VIPR1 (0.66)	VIPR1PTH1RGLP1RVIPR2ECE1
SCHEMBL31182903	0.90	TFPI (0.65)	BACE1VIPR1PTH1RGLP1RCCKBR
SCHEMBL30436591	0.90	VIPR1 (0.65)	VIPR1PTH1RGLP1RCCKBRRXFP1
SCHEMBL30358174	0.90	PTH1R (0.62)	BACE1VIPR1PTH1RGLP1RCCKBR
SCHEMBL30262112	0.89	VIPR1 (0.55)	VIPR1PTH1RGLP1RVIPR2ECE1
SCHEMBL30176428	0.89	PTH1R (0.70)	BACE1VIPR1PTH1RGLP1RCCKBR

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-116875578-B	Triplet fusion enzyme, preparation method thereof and method for preparing nicotinamide mononucleotide by using triplet fusion enzyme	康盈红莓(中山)生物科技有限公司	2024-10-01	—	—	CN	disclosed
CN-116875578-A	Triplet fusion enzyme, preparation method thereof and method for preparing nicotinamide mononucleotide by using triplet fusion enzyme	康盈红莓(中山)生物科技有限公司	2023-10-13	—	—	CN	disclosed