SCHEMBL4611468

SCHEMBL4611468

CC1Cc2ccc(N)cc2N1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HTR2A P28223 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3109968 0.82 ATAD2 (0.42) MAPTKDM4ERAD52ALDH1A1HTT
SCHEMBL12361720 0.79 HTR2A (0.51) ALDH1A1GRIN1GRIN2AHTR2ADRD2
SCHEMBL14158735 0.78 ADRA2A (0.42) ALDH1A1HTTOPRM1OPRD1OPRK1
SCHEMBL2202325 0.77 GAA (0.33) MAPTKDM4EALDH1A1HTTMEN1
SCHEMBL5798751 0.75 NOTUM (0.62) MAPTKDM4EMEN1GAATHRB
SCHEMBL27361694 0.75 LMNA (0.40) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL20594621 0.75 ALDH1A1 (0.49) KDM4EALDH1A1OPRM1OPRD1OPRK1
SCHEMBL28340121 0.74 NOTUM (0.38) HTR2ADRD2BRD4NOTUMHTR2C
SCHEMBL27947073 0.74 HTR2A (0.56) OPRD1HTR2ADRD2HTR2CHTR2B
SCHEMBL12992155 0.73 MAPT (0.51) MAPTKDM4ERAD52ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979339-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2008-10-15 EP disclosed
WO-2007083017-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-07-26 WO disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed