SCHEMBL8305363

SCHEMBL8305363

N[C@H]1CCCC1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.54
▸ F2 P00734 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45

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
SCHEMBL4691317 1.00 F10 (0.54) F10F2SMN1; SMN2MEN1GAA
SCHEMBL8354818 1.00 F10 (0.54) F10F2SMN1; SMN2MEN1GAA
SCHEMBL13461888 0.84 F10 (0.55) F10F2SMN1; SMN2MEN1GAA
SCHEMBL4691316 0.83 F10 (0.52) F10F2SMN1; SMN2MEN1GAA
SCHEMBL8310682 0.77 RAB9A (0.70) F10SMN1; SMN2MEN1GAAHTT
SCHEMBL14524982 0.77 F10 (0.51) F10F2SMN1; SMN2MEN1GAA
SCHEMBL5432602 0.77 F10 (0.51) F10F2SMN1; SMN2MEN1GAA
SCHEMBL5432603 0.77 F10 (0.51) F10F2SMN1; SMN2MEN1GAA
SCHEMBL8259245 0.75 F10 (0.55) F10F2SMN1; SMN2MEN1GAA
SCHEMBL17017323 0.72 HCRTR1 (0.55) F10MEN1RAB9AKMT2A

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-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — WO disclosed
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