SCHEMBL27760173

SCHEMBL27760173

Fc1ccc(-c2coc([C@H]3CCCNC3)n2)cc1.O=COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
HRH1 P35367 1/20 0.39
PRMT5 O14744 2/20 0.39
ACP1 P24666 2/20 0.37
IKBKB O14920 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL27760095 0.86 IKBKB (0.35) CHRM1HRH1PRMT5ACP1IKBKB
SCHEMBL3581077 0.83 MAPK11 (0.47) CHRM1HRH1ACP1MAPK14MAPK11
SCHEMBL3581075 0.83 MAPK11 (0.47) CHRM1HRH1ACP1MAPK14MAPK11
SCHEMBL20028885 0.72 CHEK1 (0.43) IKBKBDRD2HTR2AHTR2CKCNH2
SCHEMBL3577202 0.72 CYP1A2 (0.48) LMNATSHRNPSR1ALOX15MAPK1
SCHEMBL3583286 0.70 ACP1 (0.41) CHRM1HRH1ACP1IKBKBMPO
SCHEMBL3583291 0.70 ACP1 (0.41) CHRM1HRH1ACP1IKBKBMPO
SCHEMBL27792220 0.70 TSHR (0.40) CHRM1TSHRHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4599388 0.69 ACP1 (0.40) CHRM1HRH1ACP1IKBKBMPO
Azetidine SCHEMBL27976635 0.69 TSHR (0.41) LMNATSHRHTR1ASLC6A2SLC6A4

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
CN-101558065-A Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2009-10-14 CN disclosed