SCHEMBL17323401

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)NCCCCCC(=O)N[C@@H](CC2CCCCC2)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	19/20	0.66

▸	AVPR2	P30518	7/20	0.58

▸	AVPR1B	P47901	5/20	0.58

▸	AVPR1A	P37288	6/20	0.57

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
SCHEMBL18656345	0.99	OXTR (0.66)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18656315	0.92	OXTR (0.73)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18656331	0.92	OXTR (0.66)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18656334	0.92	OXTR (0.68)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18656350	0.91	OXTR (0.64)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17323287	0.91	OXTR (0.66)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18656317	0.90	OXTR (0.74)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17323402	0.89	OXTR (0.65)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18656332	0.88	OXTR (0.63)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL18656379	0.88	OXTR (0.62)	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-2015185467-A1	PEPTIDES AS OXYTOCIN AGONISTS	F. HOFFMANN-LA ROCHE AG (CH)	2015-12-10	—	—	WO	disclosed