SCHEMBL2558087

SCHEMBL2558087

CCCN1CCN(c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.62
SIGMAR1 Q99720 1/20 0.62
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.45
RAD52 P43351 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNA7 P36544 1/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2557098 0.86 GAA (0.61) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL2560823 0.85 KCNH2 (0.43) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL1356805 0.80 MAPT (0.57) KDM4EGAAMAPTGFERSMN1; SMN2
SCHEMBL29951850 0.80 LPL (0.50) SIGMAR1GAA
Bromide SCHEMBL11216847 0.79 DRD2 (0.66) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL81904 0.79 DRD2 (0.70) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL13079491 0.79 KDM4E (0.78) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL4274469 0.77 DRD2 (0.68) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL5915112 0.77 DRD2 (0.68) DRD2SIGMAR1KDM4EGAAMAPT
SCHEMBL374548 0.77 KDM4E (0.73) DRD2SIGMAR1KDM4EGAAMAPT

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