SCHEMBL9127449

SCHEMBL9127449

N#Cc1ccc(OCc2ccc(CCc3ccncc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
RAB9A P51151 1/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
CYP3A4 P08684 1/20 0.51
F2 P00734 2/20 0.50
KCNH2 Q12809 1/20 0.50
GRIN2B Q13224 1/20 0.50
CYP11B1 P15538 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.46
CYP19A1 P11511 1/20 0.46
LTA4H P09960 1/20 0.45
MAOA P21397 3/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL18664184 0.84 MAOB (0.81) MAOBRAB9ACYP4F2CYP4A11CYP3A4
SCHEMBL29741480 0.84 MAOB (0.81) MAOBRAB9ACYP4F2CYP4A11CYP3A4
SCHEMBL9130324 0.83 MAOB (0.55) MAOBRAB9ACYP4F2CYP4A11CYP3A4
SCHEMBL9130328 0.83 MAOB (0.55) MAOBRAB9ACYP4F2CYP4A11CYP3A4
SCHEMBL7947463 0.80 HRH3 (0.61) MAOBRAB9ACYP4F2CYP4A11CYP11B1
SCHEMBL8783402 0.80 F2 (0.63) F2KCNH2GRIN2BEPHX2LTA4H
SCHEMBL16841039 0.79 MAOB (0.72) MAOBRAB9ACYP4F2CYP4A11CYP3A4
SCHEMBL23291295 0.78 MAOB (0.67) MAOBF2KCNH2GRIN2B
SCHEMBL8796893 0.78 F2 (0.54) MAOBF2KCNH2GRIN2BEPHX2
SCHEMBL15583708 0.76 MAOB (0.58) MAOBRAB9ACYP4F2CYP4A11CYP3A4

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
US-5399575-A Antiallergens BOEHRINGER MANNHEIM GMBH (DE) 1995-03-21 US disclosed