SCHEMBL29934390

NC(=O)CC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C(N)CSSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)O)NC(=O)C(CC(N)=O)NC1=O

nearest known ligand 0.89

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	AVPR1A	P37288	3/20	0.89

▸	AVPR2	P30518	2/20	0.89

▸	OXTR	P30559	2/20	0.89

▸	AVPR1B	P47901	2/20	0.89

▸	PTGS1	P23219	1/20	0.78

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
SCHEMBL29367334	1.00	AVPR1A (0.89)	AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL30525288	1.00	AVPR1A (0.89)	AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL18937546	0.94	AVPR1A (1.00)	AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL29688276	0.94	AVPR1A (1.00)	AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL19712236	0.94	AVPR1A (1.00)	AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL17874853	0.94	AVPR1A (1.00)	AVPR1AAVPR2OXTRAVPR1BPTGS1
Vasopressin SCHEMBL29530914	0.93	AVPR1A (0.97)	AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL23879427	0.92	AVPR1A (0.96)	AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL18476287	0.92	AVPR1A (0.96)	AVPR1AAVPR2OXTRAVPR1BPTGS1
SCHEMBL29786906	0.92	AVPR1A (0.74)	AVPR1AAVPR2OXTRAVPR1BPTGS1

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-20220291237-A1	Gene Expression Inflammatory Age and Its Uses	Edifice Health, Inc. (US)	2022-09-15	—	—	US	disclosed