SCHEMBL21763648

SCHEMBL21763648

CC1CNCC(=O)N1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
EHMT2 Q96KQ7 1/20 0.44
HTR2C P28335 1/20 0.43
BRD4 O60885 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMO Q99835 2/20 0.40
P2RX7 Q99572 1/20 0.39

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
SCHEMBL7906136 0.85 HTR2C (0.46) GSK3AGSK3BEHMT2HTR2CBRD4
SCHEMBL18114398 0.80 SLC6A2 (0.46) GSK3AGSK3BEHMT2HCRTR1HCRTR2
SCHEMBL18127406 0.80 SLC6A2 (0.46) GSK3AGSK3BEHMT2HCRTR1HCRTR2
SCHEMBL1914402 0.79 GSK3A (0.43) GSK3AGSK3BEHMT2HTR2CHCRTR1
SCHEMBL17793378 0.79 GSK3A (0.50) GSK3AGSK3BEHMT2BRD4HCRTR1
SCHEMBL2025086 0.79 GSK3A (0.43) GSK3AGSK3BEHMT2HTR2CHCRTR1
SCHEMBL19468800 0.79 GSK3A (0.50) GSK3AGSK3BEHMT2BRD4HCRTR1
SCHEMBL21538655 0.78 LMNA (0.50) EHMT2BRD4HCRTR1HCRTR2MEN1
SCHEMBL18114452 0.78 MEN1 (0.42) GSK3AGSK3BEHMT2HCRTR1HCRTR2
SCHEMBL2246337 0.78 GSK3A (0.47) GSK3AGSK3BEHMT2BRD4MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed