SCHEMBL29680195

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	8/20	0.52

▸	CALCR	P30988	8/20	0.52

▸	NPY2R	P49146	7/20	0.51

▸	NPY4R	P50391	7/20	0.51

▸	NPY5R	Q15761	7/20	0.51

▸	NPY1R	P25929	5/20	0.51

▸	KDM1A	O60341	1/20	0.50

▸	MAOB	P27338	1/20	0.50

▸	KDM5A	P29375	1/20	0.50

▸	KDM1B	Q8NB78	1/20	0.50

▸	CXCR4	P61073	2/20	0.49

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
SCHEMBL30974402	0.92	NPY2R (0.55)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30844316	0.90	NPY2R (0.51)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30844407	0.90	KDM1A (0.50)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30844265	0.90	EPHA2 (0.50)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30844241	0.90	EPHA2 (0.50)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30844315	0.90	EPHA2 (0.50)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29679604	0.89	RAMP3 (0.57)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31257146	0.89	NPY2R (0.50)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31257145	0.89	KDM1A (0.50)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30844287	0.89	NPY2R (0.50)	RAMP3CALCRNPY2RNPY4RNPY5R

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-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	disclosed