SCHEMBL7256228

SCHEMBL7256228

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 15/20 0.49
APOB P04114 5/20 0.47
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
PPARG P37231 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 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 0.93 MTTP (0.50) MTTPAPOBPPARG
SCHEMBL6680330 0.92 MTTP (0.49) MTTPAPOBPPARG
SCHEMBL6674719 0.92 MTTP (0.49) MTTPAPOBPPARG
SCHEMBL6685186 0.92 MTTP (0.49) MTTPAPOBPPARG
SCHEMBL6673894 0.92 MTTP (0.49) MTTPAPOBPPARG
SCHEMBL6675663 0.91 MTTP (0.49) MTTPAPOBS1PR1S1PR3PPARG
SCHEMBL6673398 0.91 MTTP (0.49) MTTPAPOB
SCHEMBL7252903 0.90 MTTP (0.50) MTTPAPOBPPARG
SCHEMBL6673986 0.90 MTTP (0.49) MTTPAPOBPPARG
SCHEMBL6675352 0.89 MTTP (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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