SCHEMBL18508987

SCHEMBL18508987

C=Cc1cc(CNC)ccc1/C=C\C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
HTR7 P34969 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PRMT6 Q96LA8 6/20 0.32
NOS1 P29475 2/20 0.31
NCF1 P14598 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NOS2 P35228 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR1E P28566 1/20 0.31
HTR2B P41595 1/20 0.31
HTR5A P47898 1/20 0.31

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
SCHEMBL20824972 0.74 EGFR (0.35) MAPT
SCHEMBL21120789 0.71 TP53 (0.38) ALOX5KDM4ECYP3A4MAPT
SCHEMBL22242785 0.69 ESR2 (0.42) ALOX5KDM4EMAPT
SCHEMBL18896546 0.69 HMGCR (0.39) ALOX5CYP3A4
SCHEMBL18715143 0.69 MMP8 (0.50) LOXL2KDM4ECYP3A4MAPTNOS1
SCHEMBL24862125 0.67 CYP1A2 (0.48) KDM4ECYP3A4MAPT
SCHEMBL22811117 0.67 MAPT (0.38) KDM4EMAPT
SCHEMBL18442003 0.67 TYR (0.41) KDM4ECYP3A4MAPT
SCHEMBL3972895 0.66 TRPA1 (0.41) ALOX5KDM4EMAPTNOS1NOS2
SCHEMBL3280956 0.66 ALDH1A1 (0.50) LOXL2HTR7KDM4ECYP3A4MAPT

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed