SCHEMBL29895442

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

nearest known ligand 0.73

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.73

▸	APLNR	P35414	2/20	0.67

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	GLP1R	P43220	6/20	0.61

▸	PTH1R	Q03431	5/20	0.61

▸	GCGR	P47871	5/20	0.60

▸	GIPR	P48546	5/20	0.60

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
SCHEMBL6437853	1.00	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL29407563	0.93	PTH1R (0.69)	PTH1R
SCHEMBL31182467	0.93	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31168252	0.92	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30658339	0.91	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL31139067	0.91	CALCR (0.62)	CALCRPTH1R
SCHEMBL30658226	0.91	CALCR (0.77)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182500	0.91	CALCR (0.72)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL6437072	0.91	CALCR (0.63)	CALCRAPLNRPTH1R
SCHEMBL30658311	0.91	CALCR (0.67)	CALCRAPLNRGLP1RPTH1RGCGR

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
CN-110988244-B	Nexiridin peptide map analysis method and application thereof	上海景峰制药有限公司	2022-07-05	—	—	CN	disclosed