SCHEMBL29403216

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	12/20	0.66

▸	KISS1R	Q969F8	8/20	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
SCHEMBL13460202	0.96	KISS1R (0.64)	IL23RKISS1R
SCHEMBL14520588	0.96	KISS1R (0.64)	IL23RKISS1R
SCHEMBL14520566	0.96	KISS1R (0.64)	IL23RKISS1R
SCHEMBL29400672	0.96	KISS1R (0.64)	IL23RKISS1R
SCHEMBL13367313	0.96	KISS1R (0.64)	IL23RKISS1R
SCHEMBL29403130	0.96	IL23R (0.65)	IL23RKISS1R
SCHEMBL12508017	0.95	IL23R (0.66)	IL23RKISS1R
SCHEMBL7731842	0.95	IL23R (0.66)	IL23RKISS1R
SCHEMBL7738071	0.95	IL23R (0.66)	IL23RKISS1R
SCHEMBL29400465	0.94	KISS1R (0.69)	IL23RKISS1R

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-11273223-B2	Bispecific anti-hapten/anti-blood brain barrier receptor antibodies, complexes thereof and their use as blood brain barrier shuttles	HOFFMANN-LA ROCHE INC. (US)	2022-03-15	—	—	US	disclosed