SCHEMBL7600196

SCHEMBL7600196

O=C(NCC(F)(F)F)OC1(CCCCN2CCCN(c3ccc4ccccc4n3)CC2)c2ccccc2Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.44
DRD2 P14416 5/20 0.44
HTR1A P08908 8/20 0.42
DRD4 P21917 1/20 0.41
HTR2A P28223 2/20 0.39
HTR3A P46098 4/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL7596491 0.92 HTR1A (0.48) DRD3DRD2HTR1AHTR2AHTR3A
SCHEMBL7597901 0.92 HTR1A (0.37) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL7599794 0.89 DRD2 (0.43) DRD3DRD2HTR1ADRD4HTR3A
SCHEMBL7601003 0.88 HTR1A (0.51) DRD3DRD2HTR1AHTR2AHTR3A
SCHEMBL7595172 0.88 HTR1A (0.39) DRD3DRD2HTR1ADRD4HTR3A
SCHEMBL7595828 0.88 DRD3 (0.38) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL7598996 0.88 HRH3 (0.39) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL6770665 0.88 DRD3 (0.46) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL7598985 0.87 HTR1A (0.41) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7598203 0.87 HTR1A (0.47) DRD3DRD2HTR1ADRD4HTR2A

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