SCHEMBL7600543

SCHEMBL7600543

O=C(NCC(F)(F)F)OC1(CCCO)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTTP P55157 2/20 0.42
PDK2 Q15119 4/20 0.41

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
SCHEMBL7600948 0.88 MTTP (0.43) MTTPPDK2
SCHEMBL7600166 0.80 MTTP (0.38) MTTPPDK2
SCHEMBL7603311 0.80 MTTP (0.44) MTTP
SCHEMBL7596692 0.79 MTTP (0.36) MTTPPDK2
SCHEMBL6766444 0.78 MTTP (0.60) MTTP
SCHEMBL7605405 0.78 MEN1 (0.46) MTTPPDK2
SCHEMBL7611938 0.78 SIGMAR1 (0.46)
SCHEMBL6675771 0.77 SIGMAR1 (0.45) MTTP
SCHEMBL7720551 0.77 DRD3 (0.43) MTTPPDK2
SCHEMBL7719551 0.76 DRD3 (0.45) MTTP

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