SCHEMBL7257809

SCHEMBL7257809

CCC(CCCNC(=O)Oc1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1C)(C(=O)OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
MTTP P55157 15/20 0.42
APOB P04114 5/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 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
SCHEMBL7036636 0.90 MTTP (0.43) TRPV4MTTPAPOBGAASMN1; SMN2
SCHEMBL6678823 0.83 MTTP (0.47) MTTPAPOBGAASMN1; SMN2
SCHEMBL6673783 0.83 MTTP (0.48) TRPV4MTTPAPOBGAASMN1; SMN2
SCHEMBL6677178 0.83 MTTP (0.47) MTTPAPOBGAASMN1; SMN2
SCHEMBL6674929 0.83 MTTP (0.49) MTTPAPOBGAASMN1; SMN2ALDH1A1
SCHEMBL6680172 0.81 MTTP (0.46) TRPV4MTTPAPOB
SCHEMBL7258136 0.81 MTTP (0.43) TRPV4MTTPAPOBGAASMN1; SMN2
SCHEMBL6673930 0.80 MTTP (0.51) MTTPAPOBGAASMN1; SMN2
SCHEMBL6674644 0.78 MTTP (0.45) MTTPAPOBGAASMN1; SMN2
SCHEMBL7253319 0.78 MTTP (0.50) MTTPAPOBGAASMN1; SMN2

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