SCHEMBL7597403

SCHEMBL7597403

O=c1[nH]c2ccc(CF)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
PKM P14618 1/20 0.63
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GRIA1 P42261 2/20 0.41
CACNG8 Q8WXS5 2/20 0.41
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL6768001 0.84 GAA (0.65) GAAPKMKMT2AMEN1PDE3B
SCHEMBL13303940 0.83 GAA (0.68) GAAPKMKMT2AMEN1PDE3B
SCHEMBL625509 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL3818109 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL2056376 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL1763460 0.79 GAA (0.96) GAAPKMKMT2AMEN1PDE3B
SCHEMBL9619832 0.79 GAA (0.63) GAAPKMKMT2AMEN1PDE3B
SCHEMBL6772721 0.79 GAA (0.58) GAAPKMKMT2AMEN1PDE3B
Hydrochloric Acid SCHEMBL16274717 0.78 GAA (1.00) GAAPKMKMT2AMEN1PDE3B
SCHEMBL6910223 0.76 GAA (0.59) GAAPKMKMT2AMEN1PDE3B

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
EP-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed