SCHEMBL29517511

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

nearest known ligand 0.58

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	16/20	0.58

▸	NPFFR1	Q9GZQ6	1/20	0.53

▸	IL23R	Q5VWK5	4/20	0.51

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
SCHEMBL29517426	0.96	KISS1R (0.63)	KISS1RNPFFR1IL23R
SCHEMBL24616735	0.96	KISS1R (0.63)	KISS1RNPFFR1IL23R
SCHEMBL24616733	0.95	KISS1R (0.62)	KISS1RNPFFR1IL23R
SCHEMBL19791170	0.89	IL23R (0.56)	KISS1RNPFFR1IL23R
SCHEMBL28235858	0.89	ACE (0.57)	—
SCHEMBL29975121	0.89	KISS1R (0.63)	KISS1RIL23R
SCHEMBL13166794	0.88	KISS1R (0.63)	KISS1RIL23R
SCHEMBL19791161	0.88	IL23R (0.56)	KISS1RNPFFR1IL23R
SCHEMBL13166795	0.88	KISS1R (0.63)	KISS1RIL23R
SCHEMBL29939242	0.86	CXCR4 (0.59)	KISS1R

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
EP-3966234-A1	VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF	Consejo Superior De Investigaciones Científicas (ES)	2022-03-16	—	—	EP	disclosed