Cargutocin

SCHEMBL14060161

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	16/20	0.75

▸	AVPR2	P30518	13/20	0.75

▸	AVPR1A	P37288	11/20	0.75

▸	AVPR1B	P47901	12/20	0.69

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
Cargutocin SCHEMBL1643445	1.00	OXTR (0.75)	OXTRAVPR2AVPR1AAVPR1B
Cargutocin SCHEMBL1649343	1.00	OXTR (0.75)	OXTRAVPR2AVPR1AAVPR1B
Cargutocin SCHEMBL29464048	1.00	OXTR (0.75)	OXTRAVPR2AVPR1AAVPR1B
SCHEMBL19003799	0.92	OXTR (0.69)	OXTRAVPR2AVPR1AAVPR1B
SCHEMBL20459016	0.92	OXTR (0.69)	OXTRAVPR2AVPR1AAVPR1B
SCHEMBL17150586	0.92	OXTR (0.69)	OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15511850	0.88	OXTR (0.88)	OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15512193	0.88	OXTR (0.80)	OXTRAVPR2AVPR1AAVPR1B
SCHEMBL18656317	0.86	OXTR (0.74)	OXTRAVPR2AVPR1AAVPR1B
SCHEMBL17150785	0.86	OXTR (0.62)	OXTRAVPR2AVPR1AAVPR1B

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
WO-2012161746-A1	USE OF OXYTOCIN OR OXYTOCIN ANALOGUES TO TREAT OBESITY AND DIABETES	ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US)	2012-11-29	—	—	WO	disclosed