SCHEMBL30629356

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

nearest known ligand 0.71

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	4/20	0.71

▸	VIPR2	P41587	6/20	0.70

▸	TFPI	P10646	1/20	0.69

▸	GLP1R	P43220	6/20	0.66

▸	ECE1	P42892	1/20	0.66

▸	MUS81	Q96NY9	1/20	0.66

▸	CCKBR	P32239	1/20	0.64

▸	KEAP1	Q14145	1/20	0.62

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
SCHEMBL30567756	0.95	VIPR1 (0.72)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL38664796	0.95	VIPR1 (0.67)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL31563800	0.94	VIPR1 (0.73)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL31182890	0.94	TFPI (0.67)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL30495814	0.94	VIPR1 (0.71)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL30495775	0.94	VIPR1 (0.70)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL29403715	0.94	VIPR1 (0.72)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL31683281	0.93	VIPR1 (0.72)	VIPR1VIPR2TFPIGLP1RECE1
SCHEMBL30071477	0.92	GLP1R (0.70)	GLP1R
SCHEMBL31182584	0.92	TFPI (0.66)	VIPR1VIPR2TFPIGLP1RECE1

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-116970088-A	Anti-pneumonia targeting peptide	浙江大学医学院附属儿童医院	2023-10-31	—	—	CN	disclosed