SCHEMBL7720501

SCHEMBL7720501

O=C(Nc1ccc(F)cc1)OC1(CCCCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CACNA1G O43497 1/20 0.46
REV1 Q9UBZ9 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
HTR7 P34969 1/20 0.45
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL7723358 0.86 DRD2 (0.46) TP53HTR7HTR1AHTR2AHTR2C
SCHEMBL7723393 0.86 DRD3 (0.43) HTR7HTR1AHTR2AHTR2C
SCHEMBL6792965 0.85 GAA (0.52) GAALMNARXFP1CACNA1GREV1
SCHEMBL7720538 0.85 HTR7 (0.44) HTR7HTR2AHTR2C
SCHEMBL7721461 0.84 HTR2A (0.41) HTR7HTR1AHTR2AHTR2CSLC6A4
SCHEMBL7720555 0.83 DRD3 (0.47) HTR7HTR2AHTR2C
SCHEMBL7720551 0.81 DRD3 (0.43) GAAHTR7HTR1AHTR2AHTR2C
SCHEMBL7723388 0.81 DRD3 (0.42) HTR7HTR1AHTR2AHTR2CSLC6A4
SCHEMBL7720317 0.79 DRD2 (0.47) CACNA1GHTR7HTR1ASLC6A4
SCHEMBL7719551 0.79 DRD3 (0.45) MAPTHTR7

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