SCHEMBL6573406

SCHEMBL6573406

CCCCOC(=O)NCc1cccc(CN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49
ALDH1A1 P00352 1/20 0.47
NCF1 P14598 1/20 0.47
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MAPK14 Q16539 1/20 0.45
POLB P06746 1/20 0.45
TLR7 Q9NYK1 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL17766325 0.83 RAB9A (0.52) SMN1; SMN2NPC1RAB9ATSHRHPGD
SCHEMBL5111754 0.81 ADORA2A (0.52) ADORA2AALDH1A1NCF1TSHRKMT2A
SCHEMBL17864829 0.80 TSHR (0.50) SMN1; SMN2NPC1RAB9ATSHRHPGD
SCHEMBL27645336 0.79 RAB9A (0.48) SMN1; SMN2NPC1RAB9ATSHRHPGD
SCHEMBL14499027 0.78 RAB9A (0.47) SMN1; SMN2NPC1RAB9ATSHRHPGD
SCHEMBL2035838 0.77 PPID (0.58) ADORA2ASMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL17863589 0.77 EPHX2 (0.49) SMN1; SMN2NPC1RAB9ATSHRHPGD
SCHEMBL14270321 0.76 MMP13 (0.49) SMN1; SMN2NPC1RAB9AMMP13ALDH1A1
SCHEMBL26224788 0.76 RAB9A (0.45) SMN1; SMN2NPC1RAB9ATSHRHPGD
SCHEMBL18124428 0.75 TSHR (0.51) SMN1; SMN2ALDH1A1TSHRHPGD

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-1435942-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032980-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed