SCHEMBL19455871

CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C=O)CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.84

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	15/20	0.84

▸	AVPR1A	P37288	10/20	0.84

▸	AVPR2	P30518	9/20	0.84

▸	AVPR1B	P47901	5/20	0.84

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
Carbetocin SCHEMBL28528620	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118157	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL39224	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL19712191	0.91	OXTR (1.00)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL19745049	0.91	OXTR (0.97)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL3128368	0.91	OXTR (0.96)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118140	0.90	OXTR (0.91)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118143	0.90	OXTR (0.91)	OXTRAVPR1AAVPR2AVPR1B
SCHEMBL25597280	0.90	OXTR (0.79)	OXTRAVPR1AAVPR2AVPR1B
Carbetocin SCHEMBL23118120	0.89	OXTR (0.91)	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-2017175233-A1	PROCESS FOR LARGE SCALE LIQUID PHASE SYNTHESIS OF CARBETOCIN AND ITS NOVEL INTERMEDIATES	DAVULURI RAMAMOHAN RAO (IN)	2017-10-12	—	—	WO	disclosed