SCHEMBL20796629

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.83

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	14/20	0.83

▸	AVPR1A	P37288	5/20	0.83

▸	AVPR2	P30518	4/20	0.83

▸	AVPR1B	P47901	4/20	0.83

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
SCHEMBL23555754	0.94	OXTR (0.73)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL22333507	0.93	OXTR (0.89)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15511961	0.93	OXTR (0.88)	OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL20707334	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL29048	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL1173243	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL21527573	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL22546734	0.91	OXTR (0.88)	OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL16373316	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL8370159	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B

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-2019038768-A1	SENSOR AND USES THEREOF IN DETECTING METAL IONS	YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL)	2019-02-28	—	—	WO	disclosed