SCHEMBL7599780

SCHEMBL7599780

COc1ccc(CNC(=O)OC2(CCCCN3CCN(c4ccc5ccccc5n4)CC3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR1A P08908 12/20 0.47
DRD3 P35462 6/20 0.46
DRD2 P14416 9/20 0.46
HTR7 P34969 8/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR6 P50406 4/20 0.44

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
SCHEMBL7603379 0.92 HTR1A (0.52) SLC6A4HTR1ADRD3DRD2HTR7
SCHEMBL7601341 0.92 DRD3 (0.50) SLC6A2SLC6A4HTR1ADRD3DRD2
SCHEMBL7603029 0.91 HTR1A (0.49) SLC6A4HTR1ADRD3DRD2HTR2A
SCHEMBL7599492 0.90 MEN1 (0.47) SLC6A2SLC6A4HTR1ADRD3DRD2
SCHEMBL7600225 0.90 HTR1A (0.48) HTR1ADRD3DRD2HTR7HTR2A
SCHEMBL7601406 0.90 HTR1A (0.49) SLC6A4HTR1ADRD3DRD2HTR7
SCHEMBL6770007 0.89 SLC6A2 (0.49) SLC6A2SLC6A4HTR1ADRD3DRD2
SCHEMBL7723383 0.88 HTR1A (0.53) HTR1ADRD3DRD2HTR7HTR2A
SCHEMBL7603153 0.88 DRD3 (0.47) HTR1ADRD3DRD2HTR7HTR2A
SCHEMBL7606143 0.87 HTR1A (0.47) SLC6A4HTR1ADRD3DRD2HTR2A

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