SCHEMBL7597385

SCHEMBL7597385

O=C(NC1CCCC1)OC1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 6/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.38
FAAH O00519 1/20 0.38
LHCGR P22888 1/20 0.38
HPGD P15428 3/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6769783 0.80 MTTP (0.42) ALDH1A1EPHX1KMT2AMEN1HPGD
SCHEMBL7597301 0.78 KMT2A (0.39) ALDH1A1RAB9AEPHX1KMT2AMEN1
SCHEMBL7600206 0.78 PDK2 (0.39) LMNA
SCHEMBL7595167 0.77 APEX1 (0.41) ALDH1A1LMNA
SCHEMBL7613302 0.77 SIGMAR1 (0.43) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL7612764 0.76 MAPT (0.38) ALDH1A1KMT2AMEN1NPSR1
SCHEMBL7595652 0.76 PDK2 (0.41)
SCHEMBL7599929 0.76 TP53 (0.39) EPHX1KMT2AMEN1HPGDGAA
SCHEMBL7595150 0.76 APEX1 (0.37) ALDH1A1
SCHEMBL7599983 0.75 PDK2 (0.37) ALDH1A1RAB9AKMT2AMEN1HPGD

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-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
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
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed