SCHEMBL6672977

SCHEMBL6672977

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1OC(=O)NCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.43
MTTP P55157 11/20 0.42
FAAH O00519 1/20 0.42
GAA P10253 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
APOB P04114 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 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 0.90 MTTP (0.49) MTTPGAAAPOBS1PR1S1PR3
SCHEMBL7036344 0.88 FAAH (0.45) MTTPFAAHSLC6A5
SCHEMBL6675701 0.85 MTTP (0.46) MTTPGAAAPOB
SCHEMBL6673563 0.83 MTTP (0.47) MTTPAPOBS1PR1S1PR3
SCHEMBL6674378 0.81 MTTP (0.44) MTTPGAAAPOB
SCHEMBL6676843 0.80 MTTP (0.48) MTTPGAAAPOB
SCHEMBL6680172 0.80 MTTP (0.46) MTTPTRPV4APOBS1PR1
SCHEMBL7258136 0.79 MTTP (0.43) P2RY14MTTPFAAHGAASLC6A5
SCHEMBL7039285 0.79 MTTP (0.51) MTTPGAAAPOB
SCHEMBL7109972 0.77 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 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