SCHEMBL30618037

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

nearest known ligand 0.70

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	CCKBR	P32239	1/20	0.61

▸	GLP1R	P43220	1/20	0.61

▸	VIPR1	P32241	3/20	0.60

▸	CALCR	P30988	3/20	0.60

▸	VIPR2	P41587	5/20	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
SCHEMBL30618028	0.92	CALCR (0.61)	TFPICCKBRGLP1RVIPR1CALCR
SCHEMBL31182681	0.92	VIPR1 (0.63)	TFPICCKBRGLP1RVIPR1CALCR
SCHEMBL30618031	0.91	CALCR (0.62)	CCKBRGLP1RVIPR1CALCRVIPR2
SCHEMBL30618036	0.91	CALCR (0.62)	CCKBRGLP1RVIPR1CALCRVIPR2
SCHEMBL30618026	0.91	CALCR (0.62)	CCKBRGLP1RVIPR1CALCRVIPR2
SCHEMBL30618033	0.91	CALCR (0.62)	CCKBRGLP1RVIPR1CALCRVIPR2
SCHEMBL29430211	0.91	VIPR1 (0.67)	TFPICCKBRGLP1RVIPR1CALCR
SCHEMBL31182762	0.91	VIPR1 (0.62)	TFPICCKBRGLP1RVIPR1CALCR
SCHEMBL29523535	0.90	VIPR1 (0.69)	TFPICCKBRGLP1RVIPR1CALCR
SCHEMBL30658251	0.90	GLP1R (0.64)	TFPICCKBRGLP1RVIPR1VIPR2

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-116987180-A	Methods and compositions for cancer diagnosis and treatment	生物技术欧洲股份公司	2023-11-03	—	—	CN	disclosed