SCHEMBL29827468

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

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	6/20	0.65

▸	VIPR2	P41587	8/20	0.62

▸	GLP1R	P43220	3/20	0.59

▸	CCKBR	P32239	1/20	0.59

▸	GCGR	P47871	1/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	BACE1	P56817	1/20	0.58

▸	TFPI	P10646	1/20	0.58

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	1/20	0.55

▸	CALCR	P30988	3/20	0.55

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
SCHEMBL29523535	0.93	VIPR1 (0.69)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL31182681	0.92	VIPR1 (0.63)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL29430211	0.91	VIPR1 (0.67)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL29496440	0.91	VIPR1 (0.71)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL30176435	0.91	VIPR1 (0.69)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL30176500	0.90	VIPR1 (0.64)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL29403715	0.90	VIPR1 (0.72)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL29913894	0.90	VIPR1 (0.61)	VIPR1VIPR2GLP1RCCKBRGCGR
SCHEMBL29479830	0.90	VIPR1 (0.69)	VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL29867509	0.89	VIPR2 (0.64)	VIPR1VIPR2GLP1RCCKBRGCGR

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-112391327-B	Engineering bacterium for co-production of geraniol and nerol and construction method and application thereof	中国农业科学院烟草研究所	2022-08-05	—	—	CN	disclosed