SCHEMBL7535744

SCHEMBL7535744

[c]1cc(Cc2cccnc2)ccc1Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TBXAS1 P24557 9/20 0.46
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
LTA4H P09960 1/20 0.43
CHRNA7 P36544 1/20 0.42
MMP2 P08253 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41

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
SCHEMBL727185 0.79 CYP1A2 (0.62) CYP11B1CYP11B2TBXAS1HRH4HRH3
SCHEMBL7532413 0.77 CALM1 (0.52) LTA4H
SCHEMBL3959322 0.77 CYP11B1 (0.45) CYP11B1CYP11B2TBXAS1HRH4HRH3
SCHEMBL10492340 0.75 CYP11B1 (0.46) CYP11B1CYP11B2TBXAS1HRH4HRH3
SCHEMBL177863 0.73 CYP11B1 (0.65) CYP11B1CYP11B2TBXAS1HRH4HRH3
SCHEMBL14257669 0.73 CYP1A2 (0.56) CYP11B1CYP11B2TBXAS1HRH4HRH3
SCHEMBL29995759 0.73 CYP11B1 (0.65) CYP11B1CYP11B2TBXAS1HRH4HRH3
SCHEMBL6167672 0.71 HRH4 (0.46) CYP11B1CYP11B2TBXAS1HRH4HRH3
SCHEMBL24769738 0.71 CYP1A2 (0.54) CYP11B1CYP11B2TBXAS1HRH4HRH3
Ammonia Solution, Strong SCHEMBL5999508 0.71 CYP11B1 (0.62) CYP11B1CYP11B2TBXAS1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020448-A1 PROCESS FOR THE HYDROFORMYLATION OF ALKENES DYNEA CHEMICALS OY (FI) 2002-03-14 WO claimed
WO-2002020448-A1 PROCESS FOR THE HYDROFORMYLATION OF ALKENES DYNEA CHEMICALS OY (FI) 2002-03-14 WO disclosed