SCHEMBL17326978

CCCC[C@H](NC(=O)CN(C)C(=O)[C@@H]1CC[S+]([O-])CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	20/20	0.63

▸	AVPR2	P30518	10/20	0.63

▸	AVPR1B	P47901	10/20	0.63

▸	AVPR1A	P37288	8/20	0.62

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
SCHEMBL17326901	1.00	OXTR (0.63)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326970	0.97	OXTR (0.61)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326853	0.94	OXTR (0.60)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326955	0.94	OXTR (0.60)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326983	0.94	OXTR (0.61)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326851	0.94	OXTR (0.61)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326848	0.93	OXTR (0.58)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18651649	0.93	OXTR (0.58)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326969	0.91	OXTR (0.56)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17326957	0.91	OXTR (0.56)	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
WO-2015185584-A1	PEPTIDES AS OXYTOCIN AGONISTS	F. HOFFMANN-LA ROCHE AG (CH)	2015-12-10	—	—	WO	disclosed