SCHEMBL30648448

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.70

▸	VIPR1	P32241	4/20	0.64

▸	VIPR2	P41587	6/20	0.63

▸	ECE1	P42892	1/20	0.60

▸	GLP1R	P43220	1/20	0.60

▸	MUS81	Q96NY9	1/20	0.60

▸	KEAP1	Q14145	1/20	0.60

▸	NR3C1	P04150	2/20	0.60

▸	OPRM1	P35372	1/20	0.59

▸	OPRD1	P41143	1/20	0.59

▸	OPRK1	P41145	1/20	0.59

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
SCHEMBL29903297	0.97	TFPI (0.71)	TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30974264	0.94	TFPI (0.63)	TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL31676914	0.93	VIPR1 (0.63)	TFPIVIPR1VIPR2GLP1R
SCHEMBL31676913	0.93	VIPR1 (0.63)	TFPIVIPR1VIPR2GLP1R
SCHEMBL31563800	0.92	VIPR1 (0.73)	TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL31683281	0.92	VIPR1 (0.72)	TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30601869	0.92	TFPI (0.79)	TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30436216	0.92	TFPI (0.79)	TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30495775	0.92	VIPR1 (0.70)	TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30567756	0.92	VIPR1 (0.72)	TFPIVIPR1VIPR2ECE1GLP1R

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-116948034-B	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2024-06-25	—	—	CN	disclosed
CN-116948034-A	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2023-10-27	—	—	CN	disclosed