SCHEMBL6680126

SCHEMBL6680126

O=C(NCC(F)(F)F)OC1(CCCCN2CCN(C(=O)C(=O)c3ccccc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTTP P55157 5/20 0.41
DRD3 P35462 3/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MTR Q99707 1/20 0.41
DRD2 P14416 2/20 0.37
SIGMAR1 Q99720 3/20 0.36

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
SCHEMBL7638560 0.91 MEN1 (0.40) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL7606909 0.87 KDM4E (0.45) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6675771 0.86 SIGMAR1 (0.45) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL7035909 0.85 MTTP (0.55) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6675979 0.85 SIGMAR1 (0.49) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL7605405 0.85 MEN1 (0.46) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL7605485 0.84 ACHE (0.48) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL7616674 0.84 MTTP (0.40) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL7611646 0.84 MTTP (0.42) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6673298 0.84 SIGMAR1 (0.51) DRD3DRD1ADRA1AOPRM1SLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP claimed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO claimed
EP-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP claimed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO claimed
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
EP-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed