SCHEMBL15949321

SCHEMBL15949321

O=C(c1ccc(Oc2ccc(Br)cn2)cc1)N1CC(N2CCN(C(=O)C(F)(F)F)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.55
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNH2 Q12809 2/20 0.48
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SCN9A Q15858 5/20 0.46
SCN10A Q9Y5Y9 2/20 0.46

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
SCHEMBL15949394 0.87 HRH3 (0.61) HRH3MAPTHTTGAASMN1; SMN2
SCHEMBL15949407 0.84 HRH3 (0.49) HRH3MAPTHTTGAASMN1; SMN2
SCHEMBL912391 0.81 HRH3 (0.52) HRH3MAPTHTTGAASMN1; SMN2
SCHEMBL913161 0.81 HRH3 (0.52) HRH3MAPTHTTGAASMN1; SMN2
SCHEMBL15949421 0.80 MAPT (0.46) HRH3MAPTHTTGAASMN1; SMN2
SCHEMBL15949411 0.77 SMN1; SMN2 (0.50) MAPTHTTGAASMN1; SMN2CYP3A4
SCHEMBL15949213 0.75 HRH3 (0.64) HRH3MAPTHTTGAASMN1; SMN2
SCHEMBL15949351 0.75 GRM5 (0.39) HRH3SMN1; SMN2LMNAL3MBTL1
SCHEMBL912159 0.72 HRH3 (0.57) HRH3MAPTHTTGAASMN1; SMN2
SCHEMBL15949231 0.72 ALDH1A1 (0.43) HRH3MAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed