SCHEMBL20025019

SCHEMBL20025019

CCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCO)c4F)CC3)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.36
CHRM3 P20309 11/20 0.36
METTL3 Q86U44 1/20 0.36
GAA P10253 1/20 0.34
MGLL Q99685 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SSTR5 P35346 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
FFAR1 O14842 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
SCHEMBL20025356 0.86 METTL3 (0.33) CHRM2CHRM3METTL3MGLLOPRM1
SCHEMBL20025020 0.83 MGLL (0.34) CHRM2CHRM3METTL3MGLLSSTR5
SCHEMBL28688585 0.74 CHRM2 (0.38) CHRM2CHRM3METTL3MGLLFFAR1
SCHEMBL20025375 0.74 CHRM2 (0.36) CHRM2CHRM3METTL3MGLLFFAR1
SCHEMBL20024865 0.73 LRRK2 (0.39) OPRM1OPRL1HCRTR1HCRTR2
SCHEMBL2142593 0.73 CHRM2 (0.43) CHRM2CHRM3MGLL
SCHEMBL2139817 0.72 CHRM2 (0.48) CHRM2CHRM3
SCHEMBL20024916 0.72 CHRM2 (0.36) CHRM2CHRM3METTL3MGLLFFAR1
SCHEMBL20025496 0.71 CHRM2 (0.35) CHRM2CHRM3MGLL
SCHEMBL20025288 0.71 SIGMAR1 (0.37) CHRM2CHRM3METTL3OPRM1SIGMAR1

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-2018059537-A1 DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF 四川海思科制药有限公司 2018-04-05 WO disclosed