SCHEMBL23717019

SCHEMBL23717019

COC1CCN(c2nc3ccc(C(C)=O)cc3o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.60
LMNA P02545 4/20 0.45
TSHR P16473 2/20 0.45
ACACA Q13085 1/20 0.45
RAB9A P51151 3/20 0.43
PTGES O14684 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL23698064 0.91 MGLL (0.62) MGLLLMNATSHRACACARAB9A
SCHEMBL23698043 0.84 MGLL (0.64) MGLLLMNATSHRACACARAB9A
SCHEMBL19214099 0.82 MGLL (0.54) MGLLLMNATSHRRAB9AMAPT
SCHEMBL31349426 0.81 MGLL (0.49) MGLLRAB9AHPGDKMT2AMAPT
SCHEMBL20296328 0.81 RAB9A (0.52) MGLLLMNATSHRRAB9APTGES
SCHEMBL31349381 0.78 RAB9A (0.51) MGLLLMNAACACARAB9AKMT2A
SCHEMBL20910382 0.76 MGLL (0.60) MGLLLMNATSHRRAB9AHPGD
SCHEMBL20898127 0.76 MGLL (1.00) MGLL
SCHEMBL23698061 0.76 MGLL (0.59) MGLLLMNATSHRRAB9APTGES
SCHEMBL23717085 0.74 MGLL (0.56) MGLLLMNATSHRSMN1; SMN2HTT

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
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed