SCHEMBL15512193

CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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 0.80

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	16/20	0.80

▸	AVPR2	P30518	8/20	0.77

▸	AVPR1B	P47901	8/20	0.77

▸	AVPR1A	P37288	7/20	0.77

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 SCHEMBL29464048	0.88	OXTR (0.75)	OXTRAVPR2AVPR1BAVPR1A
Cargutocin SCHEMBL1649343	0.88	OXTR (0.75)	OXTRAVPR2AVPR1BAVPR1A
Cargutocin SCHEMBL1643445	0.88	OXTR (0.75)	OXTRAVPR2AVPR1BAVPR1A
Cargutocin SCHEMBL14060161	0.88	OXTR (0.75)	OXTRAVPR2AVPR1BAVPR1A
Oxytocin SCHEMBL16373316	0.87	OXTR (1.00)	OXTRAVPR2AVPR1BAVPR1A
Oxytocin SCHEMBL29048	0.87	OXTR (1.00)	OXTRAVPR2AVPR1BAVPR1A
Oxytocin SCHEMBL8370159	0.87	OXTR (1.00)	OXTRAVPR2AVPR1BAVPR1A
Oxytocin SCHEMBL20707334	0.87	OXTR (1.00)	OXTRAVPR2AVPR1BAVPR1A
Oxytocin SCHEMBL21527573	0.87	OXTR (1.00)	OXTRAVPR2AVPR1BAVPR1A
Oxytocin SCHEMBL1173243	0.87	OXTR (1.00)	OXTRAVPR2AVPR1BAVPR1A

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-20140066373-A1	TREATING DIABETES WITH OXYTOCIN OR OXYTOCIN ANALOGS	ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US)	2014-03-06	—	—	US	disclosed