SCHEMBL4768439

SCHEMBL4768439

COc1cc(CC=O)c(N)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL1579468 0.86 KDM4E (0.42) TAAR1ALDH1A1HTR2AMAPK1HTT
SCHEMBL875687 0.83 HMGCR (0.44) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL24839269 0.82 TAAR1 (0.52) TAAR1HTR2AHTR2CHTR2BLMNA
SCHEMBL4765824 0.81 TAAR1 (0.51) TAAR1HTR2AMAPK1HTTRAB9A
SCHEMBL577652 0.80 GAA (0.55) TAAR1ALDH1A1HPGDMAPK1RAB9A
SCHEMBL7003415 0.79 MTNR1A (0.44) TAAR1ALDH1A1MEN1POLBHPGD
SCHEMBL4772225 0.78 TAAR1 (0.47) TAAR1ALDH1A1MEN1HPGDKMT2A
SCHEMBL17653319 0.77 HTR2A (0.44) TAAR1POLBHTR2AHTR2C
SCHEMBL21798818 0.76 TAAR1 (0.45) TAAR1ALDH1A1MEN1KMT2AHTR2A
SCHEMBL30536200 0.75 HTR2A (0.39) TAAR1ALDH1A1MEN1POLBHPGD

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-1989195-A1 PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-12 EP disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed