SCHEMBL29649215

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](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)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.64

▸	VIPR2	P41587	5/20	0.60

▸	GLP1R	P43220	8/20	0.59

▸	CCKBR	P32239	1/20	0.59

▸	VIPR1	P32241	4/20	0.59

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

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
SCHEMBL31182560	0.91	CALCR (0.64)	CALCRVIPR2GLP1RCCKBRVIPR1
SCHEMBL30576930	0.91	KEAP1 (0.61)	CALCRVIPR2GLP1R
SCHEMBL29949404	0.89	GLP1R (0.62)	CALCRVIPR2GLP1R
SCHEMBL30495620	0.89	GLP1R (0.62)	CALCRVIPR2GLP1RVIPR1
SCHEMBL31332028	0.89	VIPR2 (0.66)	CALCRVIPR2GLP1RCCKBRVIPR1
SCHEMBL30658288	0.89	GLP1R (0.64)	CALCRGLP1RCCKBRVIPR1CRHR1
SCHEMBL31182665	0.89	VIPR1 (0.68)	VIPR2GLP1RVIPR1
SCHEMBL31331832	0.89	VIPR1 (0.68)	CALCRVIPR2GLP1RCCKBRVIPR1
SCHEMBL31182784	0.89	VIPR1 (0.62)	CALCRVIPR2GLP1RCCKBRVIPR1
SCHEMBL30527889	0.88	KEAP1 (0.58)	CALCRVIPR2GLP1RVIPR1

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-112391371-B	Tobacco monoterpene synthetase TPS2b, and coding gene and application thereof	中国科学院青岛生物能源与过程研究所	2022-05-20	—	—	CN	disclosed