SCHEMBL20722849

SCHEMBL20722849

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 7/20 0.39
DPP7 Q9UHL4 7/20 0.39
KCNH2 Q12809 4/20 0.39
GRM5 P41594 2/20 0.38
TSHR P16473 1/20 0.38
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL28568816 1.00 CA1 (0.41) CA1CA2ACHECTSLCTSB
SCHEMBL20722887 0.90 BACE1 (0.46) CA1CA2ACHEALDH1A1L3MBTL1
SCHEMBL30968513 0.90 BACE1 (0.46) CA1CA2ACHEALDH1A1L3MBTL1
SCHEMBL29286138 0.90 BACE1 (0.46) CA1CA2ACHEALDH1A1L3MBTL1
SCHEMBL21686007 0.88 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL20722760 0.88 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL21686008 0.88 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL20722923 0.87 CTSL (0.44) CA1CA2ACHECTSLCTSB
SCHEMBL20722605 0.84 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL20722829 0.84 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