SCHEMBL6692224

SCHEMBL6692224

O=C(O)Oc1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOB P04114 9/20 0.51
MTTP P55157 13/20 0.49
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6692221 0.84 APOB (0.53) APOBMTTPCHRNB2CHRNB4CHRNA3
SCHEMBL31393757 0.80 CHRNB2 (0.71) APOBMTTPCHRNB2CHRNB4CHRNA3
SCHEMBL6673930 0.77 MTTP (0.51) APOBMTTPGAAKDM4ESMN1; SMN2
SCHEMBL6675345 0.75 MTTP (0.49) APOBMTTPGAAKDM4ESMN1; SMN2
SCHEMBL3726223 0.75 NPC1 (0.61) APOBMTTPCHRNB2CHRNB4CHRNA3
SCHEMBL6794747 0.74 PTGS1 (0.60) APOBMTTPCHRNB2CHRNB4CHRNA3
SCHEMBL6799012 0.74 APOB (0.66) APOBMTTPCHRNB2CHRNB4CHRNA3
SCHEMBL7605815 0.74 APOB (0.63) APOBMTTPCHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7607266 0.73 APOB (0.65) APOBMTTPCHRNB2CHRNB4CHRNA3
SCHEMBL6791178 0.73 PTGS1 (0.67) APOBMTTPCHRNB2CHRNB4CHRNA3

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 3 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 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
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO disclosed