SCHEMBL21704253

SCHEMBL21704253

O=C1C[C@@H](CF)CN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
DPP4 P27487 3/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL20722377 1.00 HPGD (0.60) HPGDTSHRDPP4HTTL3MBTL1
SCHEMBL15291862 0.89 HPGD (0.59) HPGDTSHRDPP4HTTPDE4A
SCHEMBL7436181 0.85 HPGD (0.62) HPGDTSHRDPP4HTTPDE4A
SCHEMBL9456344 0.85 HPGD (0.62) HPGDTSHRDPP4HTTL3MBTL1
SCHEMBL6646350 0.84 DPP4 (0.52) HPGDDPP4HTTL3MBTL1SMN1; SMN2
SCHEMBL6648103 0.84 DPP4 (0.52) HPGDDPP4HTTL3MBTL1SMN1; SMN2
SCHEMBL3240700 0.84 HPGD (0.60) HPGDTSHRDPP4HTTPDE4A
SCHEMBL13036597 0.84 HPGD (0.60) HPGDTSHRDPP4HTTL3MBTL1
Nebracetam SCHEMBL195354 0.84 HPGD (0.60) HPGDTSHRDPP4HTTPDE4A
SCHEMBL3124428 0.84 HPGD (0.60) HPGDTSHRDPP4HTTL3MBTL1

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
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed