SCHEMBL2552859

SCHEMBL2552859

CC(=O)N1CCN(c2cccc(B(O)O)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.50
CASP6 P55212 1/20 0.50
USP2 O75604 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR6 P50406 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 2/20 0.45

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
SCHEMBL4104383 0.86 TSHR (0.49) USP2CYP1A2HSD17B10MAPK1SMN1; SMN2
SCHEMBL19049592 0.81 SMN1; SMN2 (0.58) GFERCASP6USP2CYP1A2CYP2D6
SCHEMBL2567243 0.81 GPR119 (0.57) SMN1; SMN2ALDH1A1MAPTPDK2
SCHEMBL29434979 0.81 GPR119 (0.57) SMN1; SMN2ALDH1A1MAPTPDK2
SCHEMBL21273927 0.81 GFER (0.65) GFERCASP6USP2CYP1A2HSD17B10
SCHEMBL29554265 0.81 ADRA2C (0.59) GFERMAPK1SMN1; SMN2HTR6ALDH1A1
SCHEMBL2557935 0.81 ADRA2C (0.59) GFERMAPK1SMN1; SMN2HTR6ALDH1A1
SCHEMBL12266120 0.80 MGLL (0.50) USP2CYP1A2MAPK1ALDH1A1KMT2A
SCHEMBL11212857 0.80 DRD2 (0.56) GFERCASP6USP2CYP1A2CYP2D6
SCHEMBL13453343 0.80 HTR1A (0.71) SMN1; SMN2HTR6ALDH1A1KMT2AHTR1A

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