SCHEMBL16397408

SCHEMBL16397408

O=C(O)[C@@H]1CC(Cc2ccccc2)CN1.O=C(O)[C@@H]1CCC(Cc2ccccc2)N1.O=C(O)[C@H]1NCCC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
GRIK1 P39086 6/20 0.40
F2 P00734 3/20 0.35
MASP2 O00187 2/20 0.35
PLG P00747 2/20 0.35
POLB P06746 1/20 0.34
GBA1 P04062 1/20 0.34

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16397407 1.00 HRH3 (0.42) HRH3GRIK1F2MASP2PLG
SCHEMBL3190846 0.79 HRH3 (0.54) HRH3GRIK1F2MASP2GBA1
SCHEMBL199034 0.79 HRH3 (0.54) HRH3GRIK1F2MASP2GBA1
SCHEMBL22536533 0.79 HRH3 (0.54) HRH3GRIK1F2MASP2GBA1
SCHEMBL1706921 0.79 HRH3 (0.54) HRH3GRIK1F2MASP2GBA1
SCHEMBL19292680 0.79 HRH3 (0.54) HRH3GRIK1F2MASP2GBA1
SCHEMBL199035 0.79 HRH3 (0.54) HRH3GRIK1F2MASP2GBA1
SCHEMBL931868 0.79 HRH3 (0.54) HRH3GRIK1F2MASP2GBA1
Hydrochloric Acid SCHEMBL15718411 0.78 GRIK1 (0.53) HRH3GRIK1F2MASP2GBA1
Hydrochloric Acid SCHEMBL7375374 0.78 GRIK1 (0.53) HRH3GRIK1F2MASP2GBA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022220-A1 PROTEASE-RESISTANT PEPTIDE LIGANDS North Carolina State University (US) 2016-05-25 EP disclosed
WO-2015009701-A1 PROTEASE-RESISTANT PEPTIDE LIGANDS NORTH CAROLINA STATE UNIVERSITY (US) 2015-01-22 WO disclosed