SCHEMBL7846789

SCHEMBL7846789

Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1Nc1cccc(CN2CCN(C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.55
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
GLS O94925 4/20 0.52
KIT P10721 2/20 0.52
DDR1 Q08345 1/20 0.52
DDR2 Q16832 1/20 0.51
LDLR P01130 1/20 0.51
PCSK9 Q8NBP7 1/20 0.51
BTK Q06187 1/20 0.50
LMNA P02545 1/20 0.50
HPGDS O60760 1/20 0.48

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
SCHEMBL7855875 0.97 MAPK14 (0.52) MAPK14HTR1DHTR1BHTR2AGLS
SCHEMBL2972329 0.92 MAPK14 (0.61) MAPK14HTR1DHTR1BHTR2AGLS
SCHEMBL3262849 0.90 MAPK14 (0.58) MAPK14HTR1DHTR1BHTR2AGLS
SCHEMBL7779426 0.88 MAPK14 (0.58) MAPK14GLSHPGDS
SCHEMBL7856635 0.87 MAPK14 (0.57) MAPK14
SCHEMBL6782251 0.86 MAPK14 (0.66) MAPK14GLSKITHPGDS
SCHEMBL27581172 0.85 MAPK14 (0.58) MAPK14KITLMNAHPGDS
SCHEMBL7855408 0.85 MAPK14 (0.64) MAPK14KITDDR1
SCHEMBL7846779 0.83 MAPK14 (0.60) MAPK14
SCHEMBL7835224 0.81 LMNA (0.50) MAPK14HTR2AKITDDR1DDR2

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-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO disclosed