SCHEMBL6697970

SCHEMBL6697970

Nc1nc2cc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)ccc2n1CCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.45
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 5/20 0.43
BACE1 P56817 1/20 0.41
SORT1 Q99523 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MTTP P55157 4/20 0.40
HRH1 P35367 1/20 0.40
HTR6 P50406 1/20 0.40
APOB P04114 1/20 0.39
TRPV4 Q9HBA0 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
SCHEMBL6919444 0.91 SMO (0.54) SMOMTTPAPOB
Hydrochloric Acid SCHEMBL6668967 0.84 HDAC1 (0.46) SMOS1PR1S1PR3SORT1
SCHEMBL6668413 0.83 S1PR1 (0.45) SMOS1PR1S1PR3SORT1HRH1
SCHEMBL6667324 0.82 SMO (0.45) SMOS1PR1S1PR3SORT1TRPV4
SCHEMBL6665670 0.79 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL6801109 0.79 SMO (0.47) SMOS1PR1S1PR3MTTPHRH1
SCHEMBL6639807 0.78 SMO (0.49) SMOSORT1LCKLYNHCK
SCHEMBL7087226 0.77 SMO (0.49) SMOSORT1KDR
SCHEMBL6666013 0.77 SMO (0.51) SMOS1PR1S1PR3SORT1MTTP
SCHEMBL6666524 0.77 SMO (0.51) SMOS1PR1S1PR3SORT1MTTP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed