SCHEMBL20722797

SCHEMBL20722797

O=C(N[C@H]1CCc2cc(N3CCN(C(=O)O)CC3)cnc2C1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
SYK P43405 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
RORC P51449 4/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.41
TMEM97 Q5BJF2 5/20 0.40
SIGMAR1 Q99720 5/20 0.40
HTR1A P08908 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 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
SCHEMBL20732043 0.90 RORC (0.47) CA1CA2ACHESYKRORC
SCHEMBL30059991 0.90 RORC (0.47) CA1CA2ACHESYKRORC
SCHEMBL20722867 0.90 RORC (0.47) CA1CA2ACHESYKRORC
SCHEMBL20722595 0.83 CA1 (0.51) CA1CA2ACHECTSLCTSB
SCHEMBL29630973 0.81 CA1 (0.54) CA1CA2ACHECTSLCTSB
SCHEMBL20732042 0.81 CA1 (0.54) CA1CA2ACHECTSLCTSB
SCHEMBL20732046 0.81 CA1 (0.54) CA1CA2ACHECTSLCTSB
SCHEMBL30061512 0.81 CA1 (0.54) CA1CA2ACHECTSLCTSB
SCHEMBL13234277 0.79 CA1 (0.52) CA1CA2ACHECTSLCTSB
SCHEMBL20840969 0.79 CA1 (0.54) CA1CA2ACHECTSLCTSB

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