SCHEMBL2558638

SCHEMBL2558638

CNC(=O)C1CCCN1c1c(F)cc(C=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
CNR2 P34972 4/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C8 P10632 2/20 0.33
CNR1 P21554 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
PIK3CA P42336 1/20 0.32
BACE1 P56817 1/20 0.32
CYP2C9 P11712 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SYK P43405 1/20 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
SCHEMBL15330281 0.83 AR (0.41) PDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2560383 0.79 ALDH1A1 (0.41) PDK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2551824 0.78 ALDH1A3 (0.52) ALDH1A1SMN1; SMN2MAPTEGLN2CYP2D6
SCHEMBL2560178 0.74 ALDH1A3 (0.54) ALDH1A1SMN1; SMN2MAPTEGLN2CNR2
SCHEMBL2561533 0.70 NPC1 (0.41) EGLN2CNR2CYP2D6CYP2C8CNR1
SCHEMBL2556134 0.69 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTPIK3CA
SCHEMBL15330523 0.69 ALDH1A1 (0.47) PDK2ALDH1A1SMN1; SMN2MAPTEGLN2
SCHEMBL15333005 0.68 ALDH1A1 (0.58) PDK2ALDH1A1SMN1; SMN2MAPTRXFP1
SCHEMBL15330016 0.67 SYK (0.41) ALDH1A1SMN1; SMN2MAPTEGLN2CNR2
SCHEMBL3548134 0.66 SYK (0.47) EGLN2CNR2CYP2D6CYP2C8CNR1

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