SCHEMBL20458985

CCC(C)C1NC[C@@](C=O)(Cc2ccc(O)cc2)NC(=O)CNC(=O)CC[C@@H](C(=O)N(C)CC(=O)N[C@](C=O)(CCSC)CNCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	20/20	0.40

▸	AVPR1B	P47901	8/20	0.38

▸	AVPR2	P30518	7/20	0.38

▸	AVPR1A	P37288	6/20	0.38

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
SCHEMBL20459032	0.87	OXTR (0.39)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20459030	0.80	OXTR (0.52)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20459015	0.79	OXTR (0.41)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20459047	0.79	OXTR (0.39)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20459024	0.78	OXTR (0.38)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20458978	0.77	OXTR (0.42)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL15840427	0.77	OXTR (0.56)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20458986	0.77	OXTR (0.56)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20459033	0.76	OXTR (0.58)	OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17150638	0.76	OXTR (0.58)	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
EP-2935312-B1	PEPTIDES AS OXYTOCIN AGONISTS	HOFFMANN LA ROCHE (CH)	2018-08-08	—	—	EP	disclosed