SCHEMBL28800441

SCHEMBL28800441

O=[SH](=O)CN1CCC(c2coc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.44
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRCP P42785 1/20 0.37
PDE4B Q07343 3/20 0.36
CCR2 P41597 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
PDE4D Q08499 1/20 0.34
ACKR3 P25106 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL1001015 0.78 HTT (0.50) USP7HPGDLMNATSHRHTT
SCHEMBL1002490 0.75 USP7 (0.74) USP7HPGDHDAC1HDAC8HDAC6
SCHEMBL27827191 0.72 DRD2 (0.48)
SCHEMBL4575757 0.67 USP7 (0.57) USP7HPGDLMNATSHRMAPT
SCHEMBL4575776 0.66 USP7 (0.54) USP7HPGDHDAC1HDAC8HDAC6
SCHEMBL2270509 0.65 HPGD (0.36) USP7HPGDHDAC1HDAC8HDAC6
SCHEMBL16635790 0.64 HPGD (0.49) USP7HPGDLMNATSHRHTT
SCHEMBL27903340 0.64 HDAC1 (0.41) HPGDLMNATSHRHDAC1HDAC8
SCHEMBL27903315 0.63 HDAC1 (0.40) HPGDLMNATSHRHDAC1HDAC8
SCHEMBL28254346 0.62 PRCP (0.40) PRCPCCR2

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
CN-102858338-A Pharmaceutical compositions for the treatment of pain and other indications MERCK SHARP & DOHME 2013-01-02 CN disclosed