SCHEMBL20722673

SCHEMBL20722673

CC(C)(C)OC(=O)N1CCN(c2nc3c(cc2F)C[C@@H](NC(=O)OCc2ccccc2)CC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TLR9 Q9NR96 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 1/20 0.41
RORC P51449 2/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
P2RX7 Q99572 1/20 0.40
NTSR1 P30989 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL21684984 1.00 ACHE (0.45) ACHECA1CA2TLR9TLR7
SCHEMBL20722926 0.90 CA1 (0.47) ACHECA1CA2HTR1ADRD2
SCHEMBL28562370 0.87 CA1 (0.41) ACHECA1CA2RORCHTR1A
SCHEMBL30968535 0.86 BACE1 (0.44) ACHECA1CA2TLR9TLR7
SCHEMBL30060046 0.86 BACE1 (0.44) ACHECA1CA2TLR9TLR7
SCHEMBL21685740 0.85 ACHE (0.47) ACHECA1CA2L3MBTL1BACE1
SCHEMBL20722476 0.85 ACHE (0.47) ACHECA1CA2L3MBTL1BACE1
SCHEMBL20722621 0.81 CA1 (0.48) ACHECA1CA2L3MBTL1BACE1
SCHEMBL28576430 0.81 CA1 (0.48) ACHECA1CA2L3MBTL1BACE1
SCHEMBL21704416 0.80 GALR2 (0.38) TLR9MAPTGPR119KITALDH1A1

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-3665169-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2020-06-17 EP disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed