SCHEMBL17326972

CC[C@H](C)[C@H](NC(=O)CN(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)C1CC1)C(=O)NCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	16/20	0.55

▸	AVPR1B	P47901	10/20	0.55

▸	AVPR2	P30518	9/20	0.55

▸	AVPR1A	P37288	8/20	0.55

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
SCHEMBL17326969	0.94	OXTR (0.56)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17326957	0.94	OXTR (0.56)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17326986	0.92	OXTR (0.66)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656295	0.90	OXTR (0.62)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17326859	0.90	OXTR (0.56)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656324	0.89	OXTR (0.55)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17326848	0.88	OXTR (0.58)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18651649	0.88	OXTR (0.58)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18657038	0.88	OXTR (0.53)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL18656297	0.86	OXTR (0.62)	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-2015185584-A1	PEPTIDES AS OXYTOCIN AGONISTS	F. HOFFMANN-LA ROCHE AG (CH)	2015-12-10	—	—	WO	disclosed