SCHEMBL6672971

SCHEMBL6672971

CCCC1CCN(c2ccc(CNC(=O)Oc3cc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)cn3C)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.44
APOB P04114 3/20 0.44
CHRM2 P08172 2/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL6674749 0.90 MTTP (0.44) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL6678457 0.90 MTTP (0.46) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL7035887 0.89 MTTP (0.46) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL7253261 0.89 MTTP (0.43) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL6678817 0.88 MTTP (0.45) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL6674626 0.86 MTTP (0.43) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL6685186 0.85 MTTP (0.49) MTTPAPOBGAA
SCHEMBL7253319 0.85 MTTP (0.50) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL6680330 0.84 MTTP (0.49) MTTPAPOBKDM4E
SCHEMBL7256228 0.84 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 4 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-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