SCHEMBL7258136

SCHEMBL7258136

Cc1ccc(CCCNC(=O)Oc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cn2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 10/20 0.43
APOB P04114 6/20 0.43
TRPV4 Q9HBA0 1/20 0.43
FAAH O00519 1/20 0.42
S1PR1 P21453 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
AGTR1 P30556 1/20 0.40
P2RY14 Q15391 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
SCHEMBL6680330 0.90 MTTP (0.49) MTTPAPOBKDM4E
SCHEMBL6680172 0.90 MTTP (0.46) MTTPAPOBTRPV4S1PR1
SCHEMBL7041153 0.88 MTTP (0.45) MTTPAPOBFAAHS1PR1KDM4E
SCHEMBL6678823 0.85 MTTP (0.47) MTTPAPOBS1PR1GAASMN1; SMN2
SCHEMBL7253319 0.85 MTTP (0.50) MTTPAPOBKDM4EGAASMN1; SMN2
SCHEMBL6673783 0.84 MTTP (0.48) MTTPAPOBTRPV4KDM4EGAA
SCHEMBL6677178 0.84 MTTP (0.47) MTTPAPOBKDM4EGAASMN1; SMN2
SCHEMBL6674929 0.84 MTTP (0.49) MTTPAPOBKDM4EGAASMN1; SMN2
SCHEMBL6685186 0.84 MTTP (0.49) MTTPAPOBGAA
SCHEMBL6673894 0.84 MTTP (0.49) MTTPAPOBKDM4EGAA

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