SCHEMBL5686144

SCHEMBL5686144

NC(=O)C[C@@]1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCCN1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.41
MMP3 P08254 5/20 0.41
MMP9 P14780 5/20 0.41
MMP8 P22894 5/20 0.41
MMP13 P45452 5/20 0.41
MMP14 P50281 4/20 0.41
RORC P51449 8/20 0.41
MMP1 P03956 2/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
NR1I2 O75469 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 1/20 0.35
CA9 Q16790 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL17761315 0.68 SLC6A3 (0.62) RORC
SCHEMBL2170203 0.66 PARP1 (0.41)
SCHEMBL17761293 0.66 SLC6A3 (0.58)
SCHEMBL1464260 0.66 MMP2 (0.49) MMP2MMP3MMP9MMP8MMP13
SCHEMBL6500186 0.65 SLC6A3 (0.57) KIF11
SCHEMBL1464281 0.65 MMP2 (0.51) MMP2MMP3MMP9MMP8MMP13
SCHEMBL17761224 0.65 SLC6A3 (0.53) KIF11
SCHEMBL6494941 0.64 SLC6A3 (0.60) KIF11
SCHEMBL14242993 0.64 PTGS2 (0.44) MMP2MMP3MMP9MMP8MMP13
SCHEMBL17689396 0.63 PTGS2 (0.47) MMP2MMP3MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed