SCHEMBL21146600

CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CSOC)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	13/20	0.62

▸	MC4R	P32245	2/20	0.55

▸	CCKBR	P32239	2/20	0.53

▸	CCKAR	P32238	1/20	0.53

▸	CTSL	P07711	2/20	0.53

▸	CTSS	P25774	2/20	0.53

▸	CTSK	P43235	2/20	0.53

▸	CTSH	P09668	1/20	0.53

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
SCHEMBL21146569	0.92	IL23R (0.66)	IL23RMC4R
SCHEMBL1370998	0.90	IL23R (0.65)	IL23RMC4RCTSLCTSSCTSK
SCHEMBL18891548	0.90	MC4R (0.62)	IL23RMC4RCCKBRCTSLCTSS
SCHEMBL18891483	0.90	MC4R (0.62)	IL23RMC4RCCKBRCTSLCTSS
SCHEMBL30464987	0.89	IL23R (0.57)	IL23RMC4RCCKBRCCKAR
SCHEMBL29814670	0.88	IL23R (0.61)	IL23RMC4RCCKBRCCKAR
SCHEMBL30464995	0.88	IL23R (0.61)	IL23RMC4RCCKBRCCKAR
SCHEMBL30464985	0.88	IL23R (0.58)	IL23RMC4RCCKBRCCKARCTSL
SCHEMBL30464982	0.88	IL23R (0.59)	IL23RMC4RCCKBRCCKARCTSL
SCHEMBL18891547	0.87	MC4R (0.59)	IL23RMC4RCCKBRCCKARCTSL

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-2019115614-A1	PEPTIDIC MELANOCORTIN 1 RECEPTOR AGONIST - SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES	UNIVERSITÄT LEIPZIG (DE)	2019-06-20	—	—	WO	disclosed