SCHEMBL21704067

SCHEMBL21704067

N[C@@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)OCc2ccccc2)C3)C[C@H]1C(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ACHE P22303 2/20 0.45
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
DPP4 P27487 7/20 0.42
DPP7 Q9UHL4 7/20 0.42
TSHR P16473 1/20 0.41
KCNH2 Q12809 4/20 0.41
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
TLR4 O00206 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL20722574 0.86 CA1 (0.43) CA1CA2ACHEALDH1A1GAA
SCHEMBL21685672 0.80 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722774 0.80 CA1 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL23938263 0.77 CA1 (0.44) CA1CA2ACHEALDH1A1GAA
SCHEMBL28572866 0.77 CA1 (0.44) CA1CA2ACHEALDH1A1GAA
SCHEMBL30968421 0.77 CA1 (0.44) CA1CA2ACHEALDH1A1GAA
SCHEMBL20722877 0.76 CA1 (0.46) CA1CA2ACHEALDH1A1GAA
SCHEMBL21685740 0.76 ACHE (0.47) CA1CA2ACHEALDH1A1CTSL
SCHEMBL20722476 0.76 ACHE (0.47) CA1CA2ACHEALDH1A1CTSL
SCHEMBL21685806 0.75 CA1 (0.43) 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 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