SCHEMBL2551824

SCHEMBL2551824

CNC(=O)C1CCCN1c1ccc(C=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 5/20 0.52
ALDH1A1 P00352 5/20 0.50
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
AADAT Q8N5Z0 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
AR P10275 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL2560178 0.96 ALDH1A3 (0.54) ALDH1A3ALDH1A1HCRTR1HCRTR2ATR
SCHEMBL2559298 0.85 ALDH1A3 (0.55) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL2556090 0.81 ALDH1A3 (0.57) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL2561170 0.78 ALDH1A3 (0.59) ALDH1A3ALDH1A1MAPTMEN1KMT2A
SCHEMBL2558638 0.78 PDK2 (0.37) ALDH1A1HCRTR1HCRTR2ATRATRIP
SCHEMBL2561533 0.76 NPC1 (0.41) EGLN2CYP3A4CYP2D6AADAT
SCHEMBL15330016 0.72 SYK (0.41) ALDH1A1EGLN2MAPTMEN1HPGD
SCHEMBL2556134 0.70 ALDH1A1 (0.52) ALDH1A3ALDH1A1MAPTGAAMEN1
SCHEMBL15330523 0.70 ALDH1A1 (0.47) ALDH1A1ATRATRIPEGLN2MAPT
SCHEMBL15339337 0.70 ALDH1A3 (1.00) ALDH1A3ALDH1A1MAPTGAAMEN1

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