SCHEMBL1382884

SCHEMBL1382884

CS(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.55
CNR1 P21554 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1383122 0.93 F10 (0.60) F10
SCHEMBL1379173 0.87 F10 (0.57) F10CNR1CA1CA2CA9
SCHEMBL1381539 0.85 F10 (0.59) F10ALDH1A1SMN1; SMN2
SCHEMBL6181035 0.84 F10 (0.60) F10CNR1KDM4EALDH1A1MAPT
SCHEMBL8324993 0.83 F10 (0.59) F10ALDH1A1
SCHEMBL6179994 0.83 F10 (0.59) F10CNR1CA1CA2CA9
SCHEMBL1380646 0.79 F10 (0.62) F10MAPT
SCHEMBL1679321 0.79 F10 (0.65) F10
SCHEMBL6182831 0.78 F10 (0.59) F10MAPTSMN1; SMN2
SCHEMBL1380603 0.78 F10 (0.59) F10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4699985-B2 2011-06-15 JP claimed
EP-1585730-A1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2005-10-19 EP claimed
WO-2004065369-A1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2004-08-05 WO claimed