SCHEMBL20177489

SCHEMBL20177489

COc1ccc(COC(=O)N[C@@H]2C3=NOCCN3C[C@H]2c2ccc3c(c2)CCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.44
EDNRB P24530 3/20 0.42
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RYR2 Q92736 1/20 0.37
LMNA P02545 1/20 0.36
GPR183 P32249 1/20 0.35
GSK3B P49841 1/20 0.34
PTGDR Q13258 1/20 0.34
ACACB O00763 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 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
SCHEMBL20177925 0.85 FPR2 (0.46) FPR2PKMHTTSMN1; SMN2MEN1
SCHEMBL20177654 0.81 FPR2 (0.62) FPR2PKMHTTSMN1; SMN2KMT2A
SCHEMBL20177559 0.79 FPR2 (0.58) FPR2PKMHTTSMN1; SMN2
SCHEMBL20177613 0.79 FPR2 (0.58) FPR2PKMHTTSMN1; SMN2LMNA
SCHEMBL20177810 0.78 FPR1 (0.44) FPR2EDNRB
SCHEMBL20177685 0.78 FPR2 (0.59) FPR2PKMHTTSMN1; SMN2MEN1
SCHEMBL20177944 0.78 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2LMNA
SCHEMBL20177886 0.78 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2MEN1
SCHEMBL20177719 0.78 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2
SCHEMBL20177552 0.78 EDNRB (0.40) EDNRBPKMHTTSMN1; SMN2MEN1

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-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed