SCHEMBL29812581

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

nearest known ligand 0.60

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.60

▸	RAMP1	O60894	1/20	0.56

▸	RAMP2	O60895	1/20	0.56

▸	RAMP3	O60896	1/20	0.56

▸	CALCRL	Q16602	1/20	0.56

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	GLP1R	P43220	3/20	0.55

▸	NPY1R	P25929	3/20	0.55

▸	CCKBR	P32239	2/20	0.55

▸	NPY2R	P49146	2/20	0.55

▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	1/20	0.55

▸	GCGR	P47871	1/20	0.55

▸	GIPR	P48546	1/20	0.55

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	CXCR4	P61073	1/20	0.54

▸	F2	P00734	1/20	0.54

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
SCHEMBL29812377	0.97	CALCR (0.60)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29812696	0.95	CALCR (0.60)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL30598167	0.94	CALCR (0.69)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29812583	0.94	CALCR (0.62)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29812671	0.93	CALCR (0.64)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL30598216	0.92	CALCR (0.72)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29812953	0.92	CALCR (0.66)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL31005061	0.89	CALCR (0.62)	CALCRHCRTR1HCRTR2NPY1RNPY2R
SCHEMBL29706332	0.89	CALCR (0.73)	CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL30598158	0.89	CALCR (0.70)	CALCRRAMP1RAMP2RAMP3CALCRL

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-2022111713-A1	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2022-06-02	—	—	WO	disclosed