SCHEMBL6851780

SCHEMBL6851780

NC(=O)[C@H]1CN(C(=O)Cc2cccnc2)CCN1S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
FKBP1A P62942 1/20 0.40
FKBP4 Q02790 1/20 0.40
FKBP5 Q13451 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL12905451 0.92 FNTA (0.45) FNTAFNTBMMP1MMP3MMP7
SCHEMBL778894 0.91 MMP1 (0.54) FNTAFNTBMMP1MMP3MMP7
SCHEMBL14878438 0.91 CNR1 (0.38) FNTAFNTBMMP1MMP3MMP7
SCHEMBL14878419 0.87 MMP1 (0.53) MMP1MMP3MMP7MMP9MMP13
SCHEMBL12905470 0.83 CNR1 (0.37) FNTAFNTBMMP1MMP3FAAH
SCHEMBL14878468 0.82 MMP1 (0.41) MMP1MMP3MMP7MMP9MMP13
SCHEMBL778916 0.81 MMP1 (0.45) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878394 0.81 MMP3 (0.52) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878474 0.81 L3MBTL1 (0.38) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878472 0.79 FPR2 (0.39) MMP1MMP3MMP7MMP9MMP13

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
US-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 US disclosed
EP-2436676-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-04-04 EP disclosed
WO-2011011181-A1 PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AMICUS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed