SCHEMBL29652664

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.63

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	GLP1R	P43220	3/20	0.59

▸	CCKBR	P32239	2/20	0.59

▸	F2	P00734	4/20	0.58

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	NPY2R	P49146	6/20	0.56

▸	NPY4R	P50391	6/20	0.56

▸	NPY5R	Q15761	6/20	0.56

▸	NPY1R	P25929	4/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

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
SCHEMBL31222181	0.95	CALCR (0.64)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29652666	0.94	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29597451	0.93	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30520007	0.90	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31295724	0.88	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30974096	0.87	CALCR (0.62)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31182860	0.87	CALCR (0.77)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29649209	0.87	CALCR (0.67)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30432702	0.87	CALCR (0.67)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30358178	0.87	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RHCRTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11839647-B2	Methods for inducing partial apoptosis using caspase polypeptides	BELLICUM PHARMACEUTICALS, INC. (US)	2023-12-12	—	—	US	disclosed
US-20220152100-A1	METHODS FOR CONTROLLED ACTIVATION OR ELIMINATION OF THERAPEUTIC CELLS	BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM	2022-05-19	—	—	US	disclosed