SCHEMBL7720555

SCHEMBL7720555

CCCNC(=O)OC1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.47
FAAH O00519 9/20 0.47
DRD2 P14416 7/20 0.45
DRD4 P21917 5/20 0.45
HTR7 P34969 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL7720538 0.93 HTR7 (0.44) DRD3FAAHDRD2DRD4HTR7
SCHEMBL7723393 0.90 DRD3 (0.43) DRD3FAAHDRD2DRD4HTR7
SCHEMBL6790988 0.85 DRD3 (0.46) DRD3DRD2DRD4HTR7HTR2A
SCHEMBL7720551 0.84 DRD3 (0.43) DRD3FAAHDRD2DRD4HTR7
SCHEMBL7720501 0.83 GAA (0.47) HTR7HTR2AHTR2C
SCHEMBL7720585 0.82 DRD3 (0.41) DRD3FAAHDRD2DRD4HTR2A
SCHEMBL7608423 0.82 SIGMAR1 (0.47)
SCHEMBL7723358 0.81 DRD2 (0.46) DRD3DRD2DRD4HTR7HTR2A
SCHEMBL7721461 0.81 HTR2A (0.41) DRD3FAAHDRD2DRD4HTR7
SCHEMBL7602690 0.81 ALDH1A1 (0.44)

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-1228053-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION AND USE THEREOF AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-08-07 EP disclosed
WO-2001021604-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE-TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-29 WO disclosed