SCHEMBL7596536

SCHEMBL7596536

O=C(NCC(F)(F)F)OC1(CCCCN2CCN(c3ccc4cc(F)ccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.45
DRD2 P14416 7/20 0.45
HTR3A P46098 1/20 0.42
HTR1A P08908 7/20 0.41
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
MTTP P55157 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MTR Q99707 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
SCHEMBL7599794 0.92 DRD2 (0.43) DRD3DRD2HTR3AHTR1A
SCHEMBL7600344 0.92 HTR3A (0.42) DRD3DRD2HTR3AHTR1ACHRM2
SCHEMBL7599912 0.92 HTR1A (0.41) DRD3DRD2HTR3AHTR1ACHRM2
SCHEMBL7599958 0.92 DRD3 (0.43) DRD3DRD2HTR1ACHRM2ADRA2A
SCHEMBL7600219 0.92 HTR1A (0.41) DRD3DRD2HTR3AHTR1ACHRM2
SCHEMBL7601003 0.91 HTR1A (0.51) DRD3DRD2HTR3AHTR1A
SCHEMBL7599613 0.90 HTR1A (0.43) DRD3DRD2HTR1ASLC6A2
SCHEMBL7597914 0.89 HTR1A (0.57) DRD3DRD2HTR3AHTR1A
SCHEMBL7599590 0.89 HTR1A (0.39) DRD3DRD2HTR3AHTR1ACHRM2
SCHEMBL7596491 0.88 HTR1A (0.48) DRD3DRD2HTR3AHTR1A

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