SCHEMBL29430208

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	6/20	0.66

▸	KISS1R	Q969F8	6/20	0.57

▸	CALCRL	Q16602	2/20	0.55

▸	CXCL8	P10145	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
SCHEMBL29695397	0.85	KISS1R (0.56)	IL23RKISS1RCXCL8
SCHEMBL29740185	0.85	KISS1R (0.60)	IL23RKISS1RCXCL8
SCHEMBL30023454	0.84	DPP3 (0.64)	IL23RKISS1R
SCHEMBL29369720	0.84	IL23R (0.57)	IL23RKISS1RCXCL8
SCHEMBL31182631	0.84	CXCR4 (0.66)	IL23R
SCHEMBL31174239	0.83	CXCL8 (0.59)	KISS1RCXCL8
SCHEMBL29993441	0.82	OPRM1 (0.59)	IL23RKISS1RCXCL8
SCHEMBL30392074	0.82	KISS1R (0.58)	KISS1RCALCRL
SCHEMBL30392472	0.82	KISS1R (0.58)	KISS1RCALCRL
SCHEMBL31000879	0.82	CALCRL (0.60)	IL23RCALCRL

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-20220073636-A1	ANTIBODY POLYPEPTIDES THAT ANTAGONIZE CD40L	DOMANTIS LIMITED (GB)	2022-03-10	—	—	US	disclosed