SCHEMBL6676843

SCHEMBL6676843

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1OC(=O)NCc1ccc(N2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 15/20 0.48
FLT1 P17948 2/20 0.43
KDR P35968 2/20 0.43
FLT3 P36888 2/20 0.43
AURKA O14965 1/20 0.40
GAA P10253 1/20 0.40
BDKRB1 P46663 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
APOB P04114 1/20 0.39

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
SCHEMBL6673495 0.89 MTTP (0.49) MTTPGAAAPOB
SCHEMBL7038654 0.89 MTTP (0.51) MTTPGAAAPOB
SCHEMBL6675701 0.88 MTTP (0.46) MTTPGAABDKRB1APOB
SCHEMBL6674378 0.85 MTTP (0.44) MTTPGAABDKRB1APOB
SCHEMBL7041617 0.82 MTTP (0.52) MTTPGAAALDH1A1APOB
SCHEMBL6672977 0.80 P2RY14 (0.43) MTTPGAAAPOB
SCHEMBL6674749 0.79 MTTP (0.44) MTTPGAAAPOB
SCHEMBL6674626 0.79 MTTP (0.43) MTTPGAABDKRB1ALDH1A1HPGD
SCHEMBL6673563 0.79 MTTP (0.47) MTTPALDH1A1HPGDKMT2AAPOB
SCHEMBL7109972 0.78 MTTP (0.50) MTTPGAAAPOB

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-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