SCHEMBL19771656

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

nearest known ligand 0.57

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	19/20	0.57

▸	AVPR2	P30518	11/20	0.57

▸	AVPR1B	P47901	10/20	0.57

▸	AVPR1A	P37288	9/20	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
SCHEMBL17150781	0.98	OXTR (0.60)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17150596	0.95	OXTR (0.57)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL19771639	0.93	OXTR (0.57)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL19771646	0.92	OXTR (0.57)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17323402	0.91	OXTR (0.65)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL20458973	0.91	OXTR (0.61)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17150773	0.91	OXTR (0.61)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL17150800	0.91	OXTR (0.60)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL20459022	0.91	OXTR (0.61)	OXTRAVPR2AVPR1BAVPR1A
SCHEMBL20458977	0.91	OXTR (0.60)	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
US-9868766-B2	Peptides as oxytocin agonists	HOFFMANN-LA ROCHE INC. (US)	2018-01-16	—	—	US	disclosed