SCHEMBL30862331

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

nearest known ligand 0.65

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	MC4R	P32245	1/20	0.59

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	F2	P00734	4/20	0.57

▸	NMBR	P28336	1/20	0.56

▸	GRPR	P30550	1/20	0.56

▸	CCKBR	P32239	2/20	0.55

▸	GLP1R	P43220	2/20	0.55

▸	TFPI	P10646	3/20	0.55

▸	OPRM1	P35372	1/20	0.55

▸	OPRD1	P41143	1/20	0.55

▸	OPRK1	P41145	1/20	0.55

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
SCHEMBL30495705	0.92	CALCR (0.69)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29849478	0.91	MC4R (0.60)	CALCRCRHR1CRHR2MC4RGLP1R
SCHEMBL29903306	0.90	CALCR (0.66)	CALCRCRHR1CRHR2MC4RHCRTR1
SCHEMBL30432023	0.90	OPRM1 (0.58)	CALCRCRHR1CRHR2TFPIOPRM1
SCHEMBL29939733	0.90	CALCR (0.73)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432803	0.89	CALCR (0.64)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31232532	0.88	CALCR (0.77)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182805	0.88	CALCR (0.67)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432400	0.87	CALCR (0.70)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29903339	0.86	CALCR (0.58)	CALCRCRHR1CRHR2HCRTR1HCRTR2

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-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed