SCHEMBL29984028

CC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	10/20	0.55

▸	RAMP3	O60896	6/20	0.53

▸	F2	P00734	4/20	0.52

▸	CRHR1	P34998	1/20	0.51

▸	CRHR2	Q13324	1/20	0.51

▸	HCRTR1	O43613	1/20	0.51

▸	HCRTR2	O43614	1/20	0.51

▸	NPY2R	P49146	3/20	0.51

▸	NPY4R	P50391	3/20	0.51

▸	NPY5R	Q15761	3/20	0.51

▸	NPY1R	P25929	2/20	0.51

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
SCHEMBL30974080	0.87	F2 (0.46)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30422242	0.86	CALCR (0.56)	CALCRRAMP3F2CRHR1CRHR2
SCHEMBL29812828	0.85	CALCR (0.70)	CALCRRAMP3F2CRHR1CRHR2
SCHEMBL30607326	0.85	CALCR (0.56)	CALCRRAMP3F2CRHR1CRHR2
SCHEMBL31182995	0.85	CALCR (0.63)	CALCRRAMP3F2HCRTR1HCRTR2
SCHEMBL31182722	0.85	GLP1R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182805	0.84	CALCR (0.67)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30432559	0.84	CALCR (0.58)	CALCRRAMP3F2CRHR1CRHR2
SCHEMBL30432409	0.84	CALCR (0.62)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182898	0.84	CALCR (0.61)	CALCRF2CRHR1CRHR2HCRTR1

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-RE49280-E1	TGFbeta type II-type III receptor fusions	BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US)	2022-11-08	—	—	US	disclosed