SCHEMBL1845286

SCHEMBL1845286

Fc1ccc2c(C3CC[N]CC3)onc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MPO P05164 2/20 0.33
CHRNA7 P36544 1/20 0.32
HTR3A P46098 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCD O00767 1/20 0.31
PARP14 Q460N5 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
SCHEMBL1843618 0.84 MPO (0.46) ACHESLC6A4MPO
Hydrochloric Acid SCHEMBL459039 0.82 MPO (0.45) SLC6A4MPO
Hydrochloric Acid SCHEMBL8679453 0.77 MPO (0.52) DRD2MPO
SCHEMBL8788480 0.76 ACHE (0.45) ACHEDRD2SLC6A4
SCHEMBL8786866 0.76 ACHE (0.50) ACHEDRD2SLC6A4
SCHEMBL8506902 0.76 ACHE (0.50) ACHEDRD2SLC6A4
SCHEMBL8788398 0.75 ACHE (0.44) ACHEDRD2SLC6A4
SCHEMBL8787897 0.74 ACHE (0.48) ACHEDRD2SLC6A4
SCHEMBL8787796 0.74 ACHE (0.48) ACHEDRD2SLC6A4
SCHEMBL8787733 0.73 DRD2 (0.44) ACHEDRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321311-A1 SYNTHESIS OF PALIPERIDONE Synthon B.V. (NL) 2011-05-18 EP disclosed
WO-2010003702-A9 SYNTHESIS OF PALIPERIDONE SYNTHON B.V. (NL) 2010-12-02 WO disclosed
EP-2235009-A1 SYNTHESIS OF PALIPERIDONE Synthon B.V. (NL) 2010-10-06 EP disclosed
WO-2010003702-A1 SYNTHESIS OF PALIPERIDONE SYNTHON B.V. (NL) 2010-01-14 WO disclosed
WO-2009074333-A1 SYNTHESIS OF PALIPERIDONE SYNTHON B.V. (NL) 2009-06-18 WO disclosed