SCHEMBL2555563

SCHEMBL2555563

CN1CCCN(c2ccc(B(O)O)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CA2 P00918 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
F10 P00742 2/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
ENPP2 Q13822 1/20 0.33
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32

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
SCHEMBL2557555 0.90 RAB9A (0.41) HRH3DRD2DRD3MEN1NPC1
SCHEMBL4711615 0.80 MAPT (0.44) HRH3DRD2DRD3MEN1NPC1
SCHEMBL29348778 0.80 DRD2 (0.53) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL29348779 0.78 MEN1 (0.38) HRH3DRD2DRD3MEN1NPC1
SCHEMBL6362778 0.78 MEN1 (0.61) HRH3DRD2DRD3MEN1NPC1
SCHEMBL21594891 0.77 CHKA (0.50) HRH3DRD2DRD3MEN1NPC1
SCHEMBL20313983 0.75 GAA (0.49) HRH3DRD2DRD3MEN1NPC1
SCHEMBL20057689 0.75 DRD2 (0.36) HRH3DRD2DRD3MEN1NPC1
SCHEMBL25685276 0.75 MGLL (0.43) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL2560444 0.75 ALDH1A1 (0.62) NPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed