SCHEMBL29389211

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.64

▸	NMUR1	Q9HB89	5/20	0.64

▸	F2	P00734	4/20	0.63

▸	NPY1R	P25929	4/20	0.59

▸	NPY2R	P49146	4/20	0.59

▸	NPY4R	P50391	4/20	0.59

▸	NPY5R	Q15761	4/20	0.59

▸	OPRD1	P41143	1/20	0.59

▸	NTSR1	P30989	1/20	0.58

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
SCHEMBL23278082	1.00	NMUR2 (0.64)	NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL25739	1.00	NMUR2 (0.64)	NMUR2NMUR1F2NPY1RNPY2R
Acetic Acid SCHEMBL2037978	0.99	NMUR2 (0.63)	NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL28366588	0.99	NMUR2 (0.65)	NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL30753221	0.99	NMUR2 (0.61)	NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL23630197	0.98	NMUR2 (0.62)	NMUR2NMUR1F2NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL4139781	0.98	NMUR2 (0.61)	NMUR2NMUR1F2NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL2034151	0.98	NMUR2 (0.61)	NMUR2NMUR1F2NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL29454826	0.98	NMUR2 (0.61)	NMUR2NMUR1F2NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL16029740	0.97	NMUR2 (0.61)	NMUR2NMUR1F2NPY1RNPY2R

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
CN-113845587-B	Synthetic method of bivalirudin	浙江湃肽生物有限公司南京分公司	2022-02-18	—	—	CN	disclosed