SCHEMBL7444511

SCHEMBL7444511

NC(=O)c1cc(NC=O)ccc1C[CH]C(=O)N1CCC(CCF)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.36
BTK Q06187 3/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
EPHX2 P34913 1/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
GPR183 P32249 1/20 0.32

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
SCHEMBL7364619 0.85 BTK (0.37) PARP14BTKF2PRSS1PRSS2
SCHEMBL4096182 0.78 HTR2A (0.40) PARP14BTKTNKSPARP1HTR2A
SCHEMBL7365919 0.76 GRIN2D (0.36) PARP14BTKTNKSPARP1HTR2A
SCHEMBL7360351 0.74 PARP14 (0.40) PARP14TNKSPARP1EPHX2
SCHEMBL3140703 0.73 PARP1 (0.43) PARP14BTKTNKSPARP1HTR2A
SCHEMBL7369282 0.72 HTR2A (0.38) PARP14BTKPARP1HTR2AHTR2C
SCHEMBL7444516 0.68 DPP4 (0.45)
SCHEMBL7364168 0.68 PRSS1 (0.40) PARP14F2PRSS1PRSS2PRSS3
SCHEMBL7365153 0.66 LMNA (0.36) PARP14F2PRSS1PRSS2PRSS3
SCHEMBL3127933 0.66 BCHE (0.44) BTKPARP1

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