SCHEMBL30449457

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.68

▸	NMUR2	Q9GZQ4	4/20	0.59

▸	NMUR1	Q9HB89	4/20	0.59

▸	NPY5R	Q15761	4/20	0.55

▸	NPY1R	P25929	3/20	0.55

▸	NPY4R	P50391	3/20	0.55

▸	NPY2R	P49146	1/20	0.53

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
SCHEMBL30450082	0.95	TFPI (0.60)	TFPINMUR2NMUR1NPY5RNPY1R
SCHEMBL6437697	0.90	TFPI (0.63)	TFPINMUR2NMUR1
SCHEMBL6437703	0.90	TFPI (0.63)	TFPINMUR2NMUR1
SCHEMBL29746571	0.90	TFPI (0.60)	TFPINMUR2NMUR1
SCHEMBL30553847	0.90	TFPI (0.58)	TFPINMUR2NMUR1NPY5RNPY1R
SCHEMBL30432497	0.88	TFPI (0.70)	TFPINMUR2NMUR1NPY5RNPY1R
SCHEMBL31141451	0.88	TFPI (0.65)	TFPINPY5RNPY1RNPY4R
SCHEMBL29746772	0.88	KISS1R (0.60)	TFPINMUR2NMUR1NPY5RNPY1R
SCHEMBL31519352	0.86	NPY4R (0.61)	TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL30880895	0.86	OPRM1 (0.60)	TFPINPY5RNPY1RNPY4RNPY2R

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-2023099725-A1	PHARMACEUTICAL PREPARATION CONTAINING A MIXTURE OF A NATRIURETIC PEPTIDE (ANP) AND A PEPTIDIC INHIBITOR OF THE CXCR4 RECEPTOR	PHARIS BIOTEC GMBH (DE)	2023-06-08	—	—	WO	disclosed