SCHEMBL2562909

SCHEMBL2562909

CN(C)CCCc1cc(B(O)O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 2/20 0.39
FERMT2 Q96AC1 1/20 0.37
SLC6A4 P31645 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
LMNA P02545 2/20 0.34
ABCB11 O95342 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SYK P43405 1/20 0.34
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL939335 0.78 ENPP2 (0.41) NOS3NOS1NOS2LMNALPL
SCHEMBL21541768 0.76 CXCR1 (0.39) NOS3NOS1NOS2HRH3LPL
SCHEMBL695025 0.74 CYP1A2 (0.49) NOS3NOS1NOS2CYP1A2LMNA
SCHEMBL15331651 0.74 ENPP2 (0.46) NOS3NOS1NOS2LMNALPL
SCHEMBL28337096 0.73 MAPT (0.43) NOS3NOS1NOS2FERMT2HRH3
SCHEMBL17300703 0.73 KCNH2 (0.46) NOS3NOS1NOS2FERMT2CYP1A2
SCHEMBL14904906 0.72 ENPP2 (0.44) KDM4EPLGF12F11KLKB1
SCHEMBL2562348 0.72 KDM4E (0.36) NOS3NOS1NOS2CYP1A2LMNA
SCHEMBL939751 0.72 HTR7 (0.42) HRH3MAOA
SCHEMBL13921939 0.71 F11 (0.41) CYP1A2LMNAKDM4ECYP3A4TSHR

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