SCHEMBL2554979

SCHEMBL2554979

CC(C(=O)O)N(C)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SLC6A9 P48067 3/20 0.33
TP53 P04637 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL18909422 0.81 HTR2A (0.37) SLC6A9TP53OPRM1OPRD1OPRK1
SCHEMBL11878714 0.81 HTR2A (0.37) SLC6A9TP53OPRM1OPRD1OPRK1
SCHEMBL19488728 0.81 HTR2A (0.37) SLC6A9TP53OPRM1OPRD1OPRK1
Trolamine SCHEMBL28075795 0.80 ICMT (0.36) MAPT
SCHEMBL15330814 0.79 GABRR1 (0.43) SLC6A9TP53LTA4H
Trolamine SCHEMBL28007192 0.78 ICMT (0.38) MAPT
Trolamine SCHEMBL7262076 0.78 ICMT (0.38) MAPT
SCHEMBL233619 0.78 TP53 (0.35) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL186682 0.78 TP53 (0.35) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9021302 0.78 TP53 (0.35) MAPTCHRNB2CHRNB4CHRNA3CHRNA4

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