SCHEMBL20722829

SCHEMBL20722829

O=C(N[C@@H]1COc2cc(N3CCN(C(=O)O)CC3)cc(F)c2C1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 6/20 0.40
DPP7 Q9UHL4 6/20 0.40
KCNH2 Q12809 4/20 0.40
GRM5 P41594 3/20 0.40
TSHR P16473 1/20 0.39
CHRM4 P08173 1/20 0.39
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38

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
SCHEMBL20722605 1.00 CA1 (0.42) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722602 1.00 CA1 (0.42) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722698 0.90 BACE1 (0.45) CA1CA2ACHEALDH1A1CHRM4
SCHEMBL30968403 0.90 BACE1 (0.45) CA1CA2ACHEALDH1A1CHRM4
SCHEMBL28566177 0.90 BACE1 (0.45) CA1CA2ACHEALDH1A1CHRM4
SCHEMBL20722954 0.85 ALDH1A1 (0.41) CA1CA2ACHEALDH1A1GAA
SCHEMBL28568816 0.84 CA1 (0.41) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722849 0.84 CA1 (0.41) CA1CA2ACHEALDH1A1GAA
SCHEMBL21686008 0.84 CA1 (0.42) CA1CA2ACHEALDH1A1GAA
SCHEMBL21686007 0.84 CA1 (0.42) CA1CA2ACHEALDH1A1GAA

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