SCHEMBL7600360

SCHEMBL7600360

COC(=O)CCNC(=O)OC1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.34
ITGA4 P13612 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
PDK2 Q15119 1/20 0.34
PTPRC P08575 1/20 0.34

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
SCHEMBL7599983 0.88 PDK2 (0.37) ALDH1A1SMN1; SMN2MAPTITGA4PDK2
SCHEMBL7595652 0.87 PDK2 (0.41) PDK2
SCHEMBL7597632 0.86 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2PDK2
SCHEMBL7600206 0.84 PDK2 (0.39) LMNAPDK2
SCHEMBL7595140 0.83 CA12 (0.42)
SCHEMBL6770628 0.81 MTTP (0.43)
SCHEMBL7612764 0.80 MAPT (0.38) ALDH1A1MAPTITGA4PDK2
SCHEMBL7599929 0.80 TP53 (0.39) SMN1; SMN2
SCHEMBL7596021 0.79 HDAC1 (0.45) ALDH1A1
SCHEMBL7599607 0.79 NPC1 (0.46) LMNAALDH1A1MAPT

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