SCHEMBL7599495

SCHEMBL7599495

O=C(NCc1ccc(F)cc1)OC1(CCCCN2CCN(c3ncc4ccccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.42
HTR2A P28223 6/20 0.41
DRD3 P35462 5/20 0.41
HTR2C P28335 3/20 0.41
HTR7 P34969 5/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD2 P14416 5/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
DRD4 P21917 1/20 0.38
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HTR6 P50406 2/20 0.38
HTR2B P41595 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37

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
SCHEMBL6769580 0.88 HTR1A (0.44) HTR1AHTR2ADRD3HTR2CHTR7
SCHEMBL7603029 0.88 HTR1A (0.49) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL7599963 0.88 POLB (0.34) CTNNB1TCF7L2
SCHEMBL7599394 0.87 HTR1A (0.44) HTR1AHTR2ADRD3HTR2CHTR7
SCHEMBL7600730 0.84 HCRTR1 (0.40) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL7599324 0.84 SMN1; SMN2 (0.46) HTR2ADRD3HTR7DRD2DRD4
SCHEMBL7596191 0.84 ALDH1A1 (0.49) HTR1AHTR2AHTR2CHTR7HTR2B
SCHEMBL7594980 0.81 SMN1; SMN2 (0.46) HTR1AHTR2ADRD3HTR2CHTR7
SCHEMBL7630436 0.81 ALDH1A1 (0.42) HTR1AHTR2ADRD3HTR2CHTR7
SCHEMBL7603379 0.81 HTR1A (0.52) HTR1AHTR2ADRD3HTR2CHTR7

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