SCHEMBL8997998

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	VIPR1	P32241	5/20	0.56

▸	GLP1R	P43220	1/20	0.55

▸	GCGR	P47871	1/20	0.55

▸	GIPR	P48546	1/20	0.55

▸	VIPR2	P41587	7/20	0.53

▸	KISS1R	Q969F8	3/20	0.50

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
SCHEMBL8998031	1.00	TFPI (0.59)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL8997961	0.95	TFPI (0.59)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL8997980	0.95	TFPI (0.59)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL8997940	0.94	TFPI (0.66)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL8997988	0.94	TFPI (0.66)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL8998005	0.94	TFPI (0.66)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL8997965	0.94	TFPI (0.66)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL29867680	0.86	TFPI (0.72)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL29563482	0.84	GLP1R (0.66)	TFPIVIPR1GLP1RGCGRGIPR
SCHEMBL29550386	0.84	TFPI (0.59)	TFPIVIPR1GLP1RGCGRGIPR

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
US-5516642-A	FOR TREATING DIABETES	BRISTOL-MYERS SQUIBB COMPANY (US)	1996-05-14	—	—	US	disclosed