SCHEMBL7598552

SCHEMBL7598552

O=C(NCc1ccc(F)cc1)OC1(CCCCN2CCN(c3ccc4ccccc4n3)CC2)c2ccccc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.45
DRD2 P14416 6/20 0.45
HTR1A P08908 6/20 0.43
HTR3A P46098 4/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.39

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
SCHEMBL7603029 0.92 HTR1A (0.49) DRD3DRD2HTR1AHTR3AHTR2A
SCHEMBL6776794 0.88 DRD3 (0.47) DRD3DRD2HTR1AHTR3ADRD4
SCHEMBL7603026 0.85 DRD3 (0.51) DRD3DRD2HTR1ADRD4HTR2A
SCHEMBL7603379 0.85 HTR1A (0.52) DRD3DRD2HTR1AHTR3AHTR2A
SCHEMBL7600196 0.84 DRD3 (0.44) DRD3DRD2HTR1AHTR3ADRD4
SCHEMBL7599794 0.84 DRD2 (0.43) DRD3DRD2HTR1AHTR3ADRD4
SCHEMBL7606143 0.83 HTR1A (0.47) DRD3DRD2HTR1AHTR3AHTR2A
SCHEMBL7601406 0.83 HTR1A (0.49) DRD3DRD2HTR1AHTR3AHTR2A
SCHEMBL7599780 0.82 SLC6A2 (0.48) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL7599394 0.81 HTR1A (0.44) 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