SCHEMBL694604

SCHEMBL694604

[c]1ccc2cc(Cc3ccncc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP17A1 P05093 6/20 0.38
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 6/20 0.38
CYP3A4 P08684 4/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
IDO1 P14902 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
F2 P00734 1/20 0.33
IMPDH2 P12268 1/20 0.32
TBXAS1 P24557 1/20 0.32
GSK3B P49841 1/20 0.31
AHR P35869 1/20 0.31
CYP19A1 P11511 3/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL693232 0.89 HRH4 (0.40) HRH4HRH3CYP17A1CYP11B1CYP11B2
SCHEMBL6988526 0.78 LOXL2 (0.53) HRH4HRH3IDO1F2AHR
SCHEMBL6993860 0.74 DAO (0.44) HRH4HRH3CYP17A1CYP11B1CYP11B2
SCHEMBL8146071 0.74 LOXL2 (0.35) HRH4MAPTLOXL2
SCHEMBL16720288 0.73 CLK1 (0.41) MAPTCYP19A1RAB9A
SCHEMBL6587779 0.73 F2 (0.51) SMN1; SMN2F2IMPDH2AHRLOXL2
SCHEMBL694101 0.72 HRH4 (0.47) HRH4HRH3IDO1CACNA1HF2
SCHEMBL7064423 0.71 ADORA1 (0.38) HRH3SMN1; SMN2LOXL2ADORA1RAB9A
SCHEMBL16719715 0.70 MAPT (0.37) MAPTLOXL2
SCHEMBL4266837 0.69 NR3C1 (0.48) HRH3CYP11B1CYP11B2SMN1; SMN2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed