SCHEMBL14060519

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

nearest known ligand 0.70

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	9/20	0.70

▸	AVPR1B	P47901	2/20	0.63

▸	AVPR2	P30518	1/20	0.63

▸	AVPR1A	P37288	1/20	0.63

▸	SSTR4	P31391	9/20	0.54

▸	SSTR2	P30874	8/20	0.54

▸	SSTR3	P32745	8/20	0.54

▸	SSTR5	P35346	8/20	0.54

▸	SSTR1	P30872	4/20	0.54

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
SCHEMBL15510980	1.00	OXTR (0.70)	OXTRAVPR1BAVPR2AVPR1ASSTR4
SCHEMBL13827825	1.00	OXTR (0.70)	OXTRAVPR1BAVPR2AVPR1ASSTR4
SCHEMBL324626	1.00	OXTR (0.70)	OXTRAVPR1BAVPR2AVPR1ASSTR4
SCHEMBL15511844	0.88	AVPR1B (0.68)	OXTRAVPR1BAVPR2AVPR1ASSTR4
SCHEMBL14008026	0.87	OXTR (0.73)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL22333523	0.86	OXTR (0.68)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL22333508	0.86	OXTR (0.77)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL15512193	0.83	OXTR (0.80)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL13827822	0.82	OXTR (0.51)	OXTRAVPR1BAVPR2AVPR1ASSTR4
SCHEMBL15511961	0.82	OXTR (0.88)	OXTRAVPR1BAVPR2AVPR1A

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