SCHEMBL17323463

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)NCCC2C[C@@H]2C(=O)N[C@@H](CC(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 0.75

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	16/20	0.75

▸	AVPR1A	P37288	10/20	0.64

▸	AVPR2	P30518	11/20	0.61

▸	AVPR1B	P47901	10/20	0.61

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
SCHEMBL17323286	0.94	OXTR (0.68)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17323371	0.93	OXTR (0.65)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17323299	0.93	OXTR (0.65)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17323287	0.93	OXTR (0.66)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459021	0.92	OXTR (0.68)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17323375	0.92	OXTR (0.64)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL18656317	0.91	OXTR (0.74)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL17323309	0.90	OXTR (0.63)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL18656315	0.90	OXTR (0.73)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL20459028	0.87	OXTR (0.61)	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-2015185467-A1	PEPTIDES AS OXYTOCIN AGONISTS	F. HOFFMANN-LA ROCHE AG (CH)	2015-12-10	—	—	WO	disclosed