SCHEMBL15512192

CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	11/20	0.77

▸	AVPR1A	P37288	5/20	0.77

▸	AVPR1B	P47901	4/20	0.77

▸	AVPR2	P30518	1/20	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
SCHEMBL15512159	0.95	OXTR (0.85)	OXTRAVPR1AAVPR1BAVPR2
SCHEMBL30035426	0.95	OXTR (0.85)	OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15511721	0.94	OXTR (0.80)	OXTRAVPR1AAVPR1BAVPR2
SCHEMBL31423752	0.91	OXTR (0.86)	OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15512310	0.91	OXTR (0.86)	OXTRAVPR1AAVPR1BAVPR2
Aspartocin SCHEMBL29439933	0.90	OXTR (0.94)	OXTRAVPR1AAVPR1BAVPR2
Aspartocin SCHEMBL2398841	0.90	OXTR (0.94)	OXTRAVPR1AAVPR1BAVPR2
Aspartocin SCHEMBL193132	0.90	OXTR (0.94)	OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15512173	0.88	OXTR (0.92)	OXTRAVPR1AAVPR1BAVPR2
SCHEMBL122621	0.88	OXTR (0.90)	OXTRAVPR1AAVPR1BAVPR2

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