SCHEMBL7598449

SCHEMBL7598449

CN(C)CCNC(=O)OC1(CCCCN2CCN(c3ccc4ccccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.50
DRD2 P14416 6/20 0.50
HTR1A P08908 6/20 0.50
HTR2A P28223 3/20 0.44
SLC6A4 P31645 3/20 0.43
HTR2C P28335 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
SLC6A2 P23975 1/20 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
SCHEMBL7598706 0.92 HTR1A (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7596447 0.90 DRD3 (0.54) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7602511 0.89 DRD3 (0.51) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7603615 0.89 DRD3 (0.49) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7600758 0.89 DRD3 (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7600485 0.87 HTR1A (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7603379 0.87 HTR1A (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL6770085 0.87 HTR1A (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7608065 0.86 HTR1A (0.49) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7601003 0.86 HTR1A (0.51) DRD3DRD2HTR1AHTR2ASLC6A4

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