SCHEMBL7603029

SCHEMBL7603029

O=C(NCc1ccc(F)cc1)OC1(CCCCN2CCN(c3ccc4ccccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.49
DRD3 P35462 8/20 0.47
DRD2 P14416 6/20 0.47
HTR3A P46098 4/20 0.43
HTR2A P28223 2/20 0.41
SLC6A4 P31645 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL7603379 0.94 HTR1A (0.52) HTR1ADRD3DRD2HTR3AHTR2A
SCHEMBL7606143 0.92 HTR1A (0.47) HTR1ADRD3DRD2HTR3AHTR2A
SCHEMBL7598552 0.92 DRD3 (0.45) HTR1ADRD3DRD2HTR3AHTR2A
SCHEMBL7601406 0.91 HTR1A (0.49) HTR1ADRD3DRD2HTR3AHTR2A
SCHEMBL7599780 0.91 SLC6A2 (0.48) HTR1ADRD3DRD2HTR2ASLC6A4
SCHEMBL7599394 0.90 HTR1A (0.44) HTR1ADRD3DRD2HTR2ASLC6A4
SCHEMBL7594432 0.90 HTR1A (0.47) HTR1ADRD3DRD2HTR3AHTR2A
SCHEMBL7603446 0.89 HTR1A (0.46) HTR1ADRD3DRD2HTR3AHTR2A
SCHEMBL7597290 0.89 HTR3A (0.39) HTR1ADRD3DRD2HTR3AHTR2A
SCHEMBL7607648 0.88 HTR1A (0.53) HTR1ADRD3DRD2SLC6A4

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