SCHEMBL17326902

CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(O)CC[S+]([O-])CC[C@@H](C(=O)N(C)CC(=O)NC(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 0.49

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	18/20	0.49

▸	AVPR1B	P47901	9/20	0.49

▸	AVPR1A	P37288	8/20	0.49

▸	AVPR2	P30518	8/20	0.48

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
SCHEMBL18651653	0.93	OXTR (0.54)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326959	0.93	OXTR (0.54)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326982	0.90	OXTR (0.54)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL18657038	0.89	OXTR (0.53)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL18657045	0.89	OXTR (0.57)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL18657041	0.88	OXTR (0.56)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326971	0.88	OXTR (0.56)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL17326984	0.87	OXTR (0.58)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL15840427	0.86	OXTR (0.56)	OXTRAVPR1BAVPR1AAVPR2
SCHEMBL20458986	0.86	OXTR (0.56)	OXTRAVPR1BAVPR1AAVPR2

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-2015185584-A1	PEPTIDES AS OXYTOCIN AGONISTS	F. HOFFMANN-LA ROCHE AG (CH)	2015-12-10	—	—	WO	disclosed