SCHEMBL6673398

SCHEMBL6673398

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1OC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.49
APOB P04114 6/20 0.49
KDM4E B2RXH2 1/20 0.43
HDAC1 Q13547 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7253319 0.94 MTTP (0.50) MTTPAPOBKDM4EGAASMN1; SMN2
SCHEMBL6674719 0.91 MTTP (0.49) MTTPAPOB
SCHEMBL7256228 0.91 MTTP (0.49) MTTPAPOB
SCHEMBL6680330 0.91 MTTP (0.49) MTTPAPOBKDM4E
SCHEMBL6673894 0.91 MTTP (0.49) MTTPAPOBKDM4EGAA
SCHEMBL6685186 0.91 MTTP (0.49) MTTPAPOBGAA
SCHEMBL6675663 0.90 MTTP (0.49) MTTPAPOB
SCHEMBL7252903 0.90 MTTP (0.50) MTTPAPOB
SCHEMBL7041054 0.89 MTTP (0.49) MTTPAPOBKDM4EHDAC1GAA
SCHEMBL6673986 0.89 MTTP (0.49) MTTPAPOB

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