SCHEMBL9414545

SCHEMBL9414545

CC(C)NC(=O)Oc1ccccc1C(C)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
NCEH1 Q6PIU2 1/20 0.41
FPR2 P25090 7/20 0.39
F2RL1 P55085 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
CES2 O00748 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CSNK1A1 P48729 1/20 0.35
TYRO3 Q06418 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL954913 0.80 ADRA2A (0.60) ADRA2AADRA2BADRA2CFPR2F2RL1
SCHEMBL9414539 0.72 ADRA2A (0.61) ADRA2AADRA2BADRA2CFPR2F2RL1
SCHEMBL697812 0.70 ADRA2A (0.56) ADRA2AADRA2BADRA2CFPR2F2RL1
SCHEMBL957611 0.70 ADRA2A (0.58) ADRA2AADRA2BADRA2CF2RL1
SCHEMBL956496 0.69 ADRA2A (0.61) ADRA2AADRA2BADRA2CFPR2F2RL1
SCHEMBL954638 0.69 ADRA2A (0.61) ADRA2AADRA2BADRA2CFPR2F2RL1
SCHEMBL6912544 0.68 NCEH1 (0.52) NCEH1ALDH1A1ACHE
SCHEMBL11386712 0.67 ADRA2A (0.58) ADRA2AADRA2BADRA2CF2RL1CSNK1A1
SCHEMBL6525865 0.67 HSP90AA1 (0.63) NCEH1ALDH1A1KDM4E
Demiditraz SCHEMBL697081 0.66 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600315-A1 Use of bentylimidazolyl derivatives as microbiocides for protecting materials BAYER AG (DE) 1994-06-08 EP disclosed