SCHEMBL20722846

SCHEMBL20722846

O=C(NC1CCc2c(F)c(N3CCN(C(=O)O)CC3)cc(F)c2C1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
DPP4 P27487 7/20 0.42
DPP7 Q9UHL4 7/20 0.42
KCNH2 Q12809 4/20 0.42
TSHR P16473 1/20 0.42
GRM5 P41594 2/20 0.42
TLR4 O00206 1/20 0.41
HSD11B1 P28845 1/20 0.41
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
HTR1A P08908 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
SCHEMBL20722459 0.91 CA1 (0.47) CA1CA2ACHECTSLCTSB
SCHEMBL30062004 0.90 ACHE (0.47) CA1CA2ACHECTSLCTSB
SCHEMBL20722620 0.90 ACHE (0.47) CA1CA2ACHECTSLCTSB
SCHEMBL21685901 0.81 CA1 (0.45) CA1CA2ACHECTSLCTSB
SCHEMBL21686007 0.81 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL21686008 0.81 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL20722760 0.81 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL30968530 0.81 CA1 (0.45) CA1CA2ACHECTSLCTSB
SCHEMBL20722926 0.78 CA1 (0.47) CA1CA2ACHECTSLCTSB
SCHEMBL20722829 0.78 CA1 (0.42) 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