SCHEMBL7599394

SCHEMBL7599394

O=C(NCc1ccc(F)cc1)OC1(CCCCN2CCN(c3cnc4ccccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 9/20 0.41
DRD3 P35462 4/20 0.39
HTR2A P28223 4/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 2/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2C P28335 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 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 0.90 HTR1A (0.49) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL6771603 0.88 HTR1A (0.45) HTR1ANPC1RAB9AMEN1KMT2A
SCHEMBL7599495 0.87 HTR1A (0.42) HTR1AHTR7DRD3HTR2ADRD2
SCHEMBL7597136 0.86 NPC1 (0.40) HTR1ANPC1RAB9AHTR7DRD3
SCHEMBL7594432 0.86 HTR1A (0.47) HTR1AHTR7DRD3HTR2ADRD2
SCHEMBL7596191 0.84 ALDH1A1 (0.49) HTR1AMEN1KMT2AHTR7HTR2A
SCHEMBL7599324 0.84 SMN1; SMN2 (0.46) NPC1RAB9AMEN1KMT2AHTR7
SCHEMBL7723400 0.84 HTR1A (0.52) HTR1AHTR7DRD3HTR2ADRD2
SCHEMBL7603379 0.83 HTR1A (0.52) HTR1AHTR7DRD3HTR2ADRD2
SCHEMBL7594980 0.82 SMN1; SMN2 (0.46) HTR1ANPC1RAB9AMEN1KMT2A

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