SCHEMBL8774584

SCHEMBL8774584

CCCCC[C@H]1CC[C@H](CCc2cc(F)c(F)nc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
MAOB P27338 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 3/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
HCAR2 Q8TDS4 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
PKM P14618 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL8774594 1.00 MAPT (0.36) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774137 0.96 GAA (0.34) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774133 0.96 GAA (0.34) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774692 0.95 CYP1A2 (0.38) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774702 0.95 CYP1A2 (0.38) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774048 0.95 GAA (0.36) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774042 0.95 GAA (0.36) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774028 0.95 GAA (0.36) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8774035 0.95 GAA (0.36) MAPTGAAMAOBMEN1KMT2A
SCHEMBL8775114 0.92 CYP1A2 (0.35) MAPTGAAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed