SCHEMBL6675775

SCHEMBL6675775

Cc1ccc(-c2ccc(CNC(=O)Oc3cc(NC(=O)c4ccccc4-c4ccc(C)cc4)cn3C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 2/20 0.42
TP53 P04637 2/20 0.41
BRD4 O60885 1/20 0.40
MTTP P55157 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
AGTR1 P30556 2/20 0.39
AVPR2 P30518 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6675696 0.96 LMNA (0.43) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL6680330 0.93 MTTP (0.49) PPARGMTTPKDM4E
SCHEMBL7252308 0.87 ALDH1A1 (0.58) L3MBTL1TP53BRD4ALDH1A1LMNA
SCHEMBL7252437 0.87 HPGD (0.46) L3MBTL1TP53BRD4ALDH1A1HTT
SCHEMBL6674719 0.86 MTTP (0.49) PPARGMTTP
SCHEMBL6675663 0.85 MTTP (0.49) PPARGMTTP
SCHEMBL7253319 0.85 MTTP (0.50) PPARGMTTPKDM4ESMN1; SMN2
SCHEMBL7252903 0.85 MTTP (0.50) PPARGMTTP
SCHEMBL7256228 0.84 MTTP (0.49) PPARGMTTP
SCHEMBL6673894 0.84 MTTP (0.49) PPARGMTTPALDH1A1LMNAKDM4E

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