SCHEMBL9045816

SCHEMBL9045816

C[CH]CCCc1c(F)cccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
NFE2L2 Q16236 1/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
LMNA P02545 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TTR P02766 1/20 0.35

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
SCHEMBL9047822 0.83 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2ALDH1A1MAPTHTR1A
SCHEMBL19304367 0.81 ALOX5 (0.46) KDM1AMAOAL3MBTL1TDP1NFE2L2
SCHEMBL9046300 0.81 L3MBTL1 (0.39) L3MBTL1TDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9045048 0.80 L3MBTL1 (0.45) KDM1AMAOAL3MBTL1TDP1NFE2L2
SCHEMBL9047524 0.79 PTGS2 (0.42) L3MBTL1SMN1; SMN2MAPTHTR1AADRA1D
SCHEMBL9046868 0.78 LPAR1 (0.42) L3MBTL1SMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL9047068 0.78 HTR1A (0.36) SMN1; SMN2ALDH1A1MAPTHTR1AADRA1D
SCHEMBL1239851 0.78 TAAR1 (0.53) KDM1AMAOAL3MBTL1TDP1NFE2L2
SCHEMBL20858089 0.78 L3MBTL1 (0.44) KDM1AMAOAL3MBTL1TDP1NFE2L2
SCHEMBL7706276 0.78 L3MBTL1 (0.44) KDM1AMAOAL3MBTL1TDP1NFE2L2

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-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed