SCHEMBL7364168

SCHEMBL7364168

NC(=O)Oc1ccc(C[CH]C(=O)N2CCC(CCF)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
ST14 Q9Y5Y6 3/20 0.40
F2 P00734 1/20 0.40
TEAD1 P28347 1/20 0.40
TEAD3 Q99594 1/20 0.40
F10 P00742 2/20 0.38
TPSAB1 Q15661 3/20 0.37
TPSD1 Q9BZJ3 3/20 0.37
TPSG1 Q9NRR2 3/20 0.37
MAOB P27338 2/20 0.36
BCHE P06276 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
KIF11 P52732 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.34
LIPE Q05469 1/20 0.34

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
SCHEMBL7369342 0.90 TEAD1 (0.39) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7360351 0.81 PARP14 (0.40) TEAD1TPSAB1TPSD1TPSG1GAA
SCHEMBL7365153 0.80 LMNA (0.36) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6166317 0.79 AOC3 (0.42) LMNAGAA
SCHEMBL6164707 0.79 CYP1A2 (0.45) LMNA
SCHEMBL6160629 0.75 DPP4 (0.40)
SCHEMBL7366964 0.73 ACHE (0.34) PRSS1PRSS2PRSS3ST14F2
SCHEMBL4086461 0.73 ADRB2 (0.41) PRSS1F2F10TPSAB1TPSD1
SCHEMBL7361819 0.72 VNN1 (0.38) TEAD1TPSAB1TPSD1TPSG1LMNA
SCHEMBL7363740 0.72 GRIN2D (0.44) PRSS1PRSS2PRSS3F2TPSAB1

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed