SCHEMBL20804318

SCHEMBL20804318

CCC1CCC(C(C)=N)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL8166237 0.81
SCHEMBL1226464 0.75 LMNA (0.38) POLBOPRM1LMNAMAPK1HTT
SCHEMBL21728779 0.75 ALDH1A1 (0.33) POLBLMNAMAPK1HTT
SCHEMBL19533158 0.75 LMNA (0.38) POLBOPRM1LMNAMAPK1HTT
SCHEMBL43433 0.74
SCHEMBL2222242 0.74 ALDH1A1 (0.37) NOS2POLBHTT
SCHEMBL32667642 0.74 ALDH1A1 (0.37) NOS2POLBHTT
SCHEMBL2150283 0.74 ALDH1A1 (0.37) NOS2POLBHTT
SCHEMBL926765 0.73 THRA (0.38) POLBOPRM1LMNAHTT
SCHEMBL16787518 0.73 NOS2 (0.54) NOS2LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019051396-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-03-14 WO disclosed