SCHEMBL7968268

SCHEMBL7968268

CCOC(=O)CCC(C(=O)N1CCCC1)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.45
F10 P00742 10/20 0.45
PLG P00747 7/20 0.45
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
USP14 P54578 4/20 0.37
BCHE P06276 3/20 0.37
CNR2 P34972 3/20 0.37
CNR1 P21554 1/20 0.36
ITK Q08881 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL7985021 0.90 CNR2 (0.43) USP14BCHECNR2CNR1ITK
SCHEMBL7967843 0.88 F2 (0.43) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7968183 0.87 F2 (0.60) F2F10PLGPRSS1PRSS2
SCHEMBL7977966 0.84 CNR2 (0.40) USP14BCHECNR2CNR1MEN1
SCHEMBL8029667 0.82 ITK (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL7967842 0.78 F2 (0.53) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7428352 0.76 F2 (0.64) F2F10PLGPRSS1PRSS2
SCHEMBL7984703 0.74 F2 (0.64) F2F10PLGPRSS1PRSS2
SCHEMBL7977875 0.74 CNR2 (0.46) F2F10PLGBCHECNR2
SCHEMBL7979533 0.74 F2 (0.41) F2F10PLGPRSS1PRSS2

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed